data_[Pr12As2Pb4Se6]
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
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1903]
_cell_length_b [4.3898]
_cell_length_c [8.8337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6AsPb2Se3]
_chemical_formula_sum '[Pr12 As2 Pb4 Se6]'
_cell_volume [724.7595]
_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  0.0015  0.0000  0.7597  1.0
  Pr  Pr1  4  0.1627  0.5000  0.5902  1.0
  Pr  Pr2  4  0.1630  0.5000  0.0731  1.0
  As  As3  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb4  4  0.1672  0.0000  0.3332  1.0
  Se  Se5  4  0.1666  0.0000  0.8345  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]