data_[Co12Sb4Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [18.6086]
_cell_length_b [9.3573]
_cell_length_c [13.3202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Co3SbBr9]
_chemical_formula_sum '[Co12 Sb4 Br36]'
_cell_volume [1801.1589]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Co  Co0  4  0.1104  0.0799  0.6714  1
  Co  Co1  4  0.3922  0.3854  0.3316  1
  Co  Co2  4  0.4825  0.0807  0.2193  1
  Sb  Sb3  4  0.2529  0.2671  0.5040  1
  Br  Br4  4  0.0461  0.1246  0.0313  1
  Br  Br5  4  0.1112  0.4915  0.4241  1
  Br  Br6  4  0.1507  0.0060  0.3696  1
  Br  Br7  4  0.2427  0.1731  0.7036  1
  Br  Br8  4  0.2630  0.4196  0.3292  1
  Br  Br9  4  0.3656  0.1604  0.2295  1
  Br  Br10  4  0.3977  0.4313  0.7117  1
  Br  Br11  4  0.4042  0.1156  0.5638  1
  Br  Br12  4  0.4984  0.2316  0.0887  1
]