data_[Pr12As6Se2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4157]
_cell_length_b [12.8038]
_cell_length_c [7.4289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6As3SeCl2]
_chemical_formula_sum '[Pr12 As6 Se2 Cl4]'
_cell_volume [665.3106]
_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  0.2488  0.3379  0.7279  1.0
  Pr  Pr1  4  0.2318  0.0000  0.7299  1.0
  As  As2  4  0.0000  0.1702  0.5000  1.0
  As  As3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl5  4  0.0000  0.3332  0.0000  1.0
]