data_[Pr12Co2S4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1920]
_cell_length_b [12.3890]
_cell_length_c [7.2933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6CoS2Cl3]
_chemical_formula_sum '[Pr12 Co2 S4 Cl6]'
_cell_volume [613.3641]
_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  0.2309  0.1586  0.2164  1.0
  Pr  Pr1  4  0.2477  0.0000  0.7753  1.0
  Co  Co2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0000  0.3336  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1742  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]