data_[Pr12Co2S4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2329]
_cell_length_b [12.4699]
_cell_length_c [7.7244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6CoS2Br3]
_chemical_formula_sum '[Pr12 Co2 S4 Br6]'
_cell_volume [662.2000]
_cell_formula_units_Z [2]
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
[
  Pr  Pr0  8  0.2264  0.1590  0.2023  1
  Pr  Pr1  4  0.2477  0.5000  0.2071  1
  Co  Co2  2  0.0000  0.0000  0.0000  1
  S  S3  4  0.0000  0.3336  0.0000  1
  Br  Br4  4  0.0000  0.1725  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]