data_[Pr12As6P4Se2]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5577]
_cell_length_b [4.2696]
_cell_length_c [8.5614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6As3P2Se]
_chemical_formula_sum '[Pr12 As6 P4 Se2]'
_cell_volume [660.4383]
_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  0.0021  0.0000  0.2577  1.0
  Pr  Pr1  4  0.1688  0.5000  0.5798  1.0
  Pr  Pr2  4  0.1695  0.5000  0.0902  1.0
  As  As3  4  0.1651  0.0000  0.8337  1.0
  As  As4  2  0.0000  0.5000  0.5000  1.0
  P  P5  4  0.1664  0.0000  0.3326  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]