data_[Pr12Co4Se2Br6]
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
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2361]
_cell_length_b [4.0688]
_cell_length_c [9.2242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Co2SeBr3]
_chemical_formula_sum '[Pr12 Co4 Se2 Br6]'
_cell_volume [687.7072]
_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  4  0.0217  0.0000  0.2450  1
  Pr  Pr1  4  0.1668  0.5000  0.1284  1
  Pr  Pr2  4  0.1812  0.5000  0.5470  1
  Co  Co3  4  0.1674  0.0000  0.3300  1
  Se  Se4  2  0.0000  0.5000  0.0000  1
  Br  Br5  4  0.1588  0.0000  0.8342  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]