#======================================================================

# CRYSTAL DATA

#----------------------------------------------------------------------

data_VESTA_phase_1


_chemical_name_common                  ''
_cell_length_a                         5.23900
_cell_length_b                         9.02820
_cell_length_c                         5.19130
_cell_angle_alpha                      90
_cell_angle_beta                       110.10200
_cell_angle_gamma                      90
_space_group_name_H-M_alt              'P 1'
_space_group_IT_number                 1

loop_
_space_group_symop_operation_xyz
   'x, y, z'

loop_
   _atom_site_label
   _atom_site_occupancy
   _atom_site_fract_x
   _atom_site_fract_y
   _atom_site_fract_z
   _atom_site_adp_type
   _atom_site_B_iso_or_equiv
   _atom_site_type_symbol
   Sb1        1.0     0.000000      0.000000      0.000000     Biso  1.000000 Sb
   Sb2        1.0     0.500000      0.500000      0.000000     Biso  1.000000 Sb
   Co1        1.0    -0.000000      0.334000      0.000000     Biso  1.000000 Co
   Co2        1.0     0.000000      0.666000      0.000000     Biso  1.000000 Co
   Co3        1.0     0.500000      0.834000      0.000000     Biso  1.000000 Co
   Co4        1.0     0.500000      0.166000      0.000000     Biso  1.000000 Co
   Li1        1.0     0.000000      0.160000      0.500000     Biso  1.000000 Li
   Li2        1.0     0.000000      0.840000      0.500000     Biso  1.000000 Li
   Li3        1.0     0.500000      0.660000      0.500000     Biso  1.000000 Li
   Li4        1.0     0.500000      0.340000      0.500000     Biso  1.000000 Li
   Li5        1.0     0.000000      0.500000      0.500000     Biso  1.000000 Li
   Li6        1.0     0.500000     -0.000000      0.500000     Biso  1.000000 Li
   O1         1.0     0.744000      0.000000      0.254000     Biso  1.000000 O
   O2         1.0     0.256000      0.000000      0.746000     Biso  1.000000 O
   O3         1.0     0.244000      0.500000      0.254000     Biso  1.000000 O
   O4         1.0     0.756000      0.500000      0.746000     Biso  1.000000 O
   O5         1.0     0.254000      0.164000      0.266000     Biso  1.000000 O
   O6         1.0     0.746000      0.836000      0.734000     Biso  1.000000 O
   O7         1.0     0.746000      0.164000      0.734000     Biso  1.000000 O
   O8         1.0     0.254000      0.836000      0.266000     Biso  1.000000 O
   O9         1.0     0.754000      0.664000      0.266000     Biso  1.000000 O
   O10        1.0     0.246000      0.336000      0.734000     Biso  1.000000 O
   O11        1.0     0.246000      0.664000      0.734000     Biso  1.000000 O
   O12        1.0     0.754000      0.336000      0.266000     Biso  1.000000 O
