data_[Pr12Co4Cu2Cl6]
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
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0502]
_cell_length_b [12.2322]
_cell_length_c [7.9069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Co2CuCl3]
_chemical_formula_sum '[Pr12 Co4 Cu2 Cl6]'
_cell_volume [651.1107]
_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  0.2445  0.1761  0.2040  1.0
  Pr  Pr1  4  0.2150  0.5000  0.2038  1.0
  Co  Co2  4  0.0000  0.3333  0.0000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1690  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]