data_[K2Pr4Pb6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3311]
_cell_length_b [4.1118]
_cell_length_c [9.1090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KPr2(PbS2)3]
_chemical_formula_sum '[K2 Pr4 Pb6 S12]'
_cell_volume [670.5739]
_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
[
  K  K0  2  0.0000  0.5000  0.0000  1
  Pr  Pr1  4  0.1664  0.0000  0.3299  1
  Pb  Pb2  4  0.1602  0.0000  0.8317  1
  Pb  Pb3  2  0.0000  0.5000  0.5000  1
  S  S4  4  0.0105  0.0000  0.2702  1
  S  S5  4  0.1694  0.5000  0.5545  1
  S  S6  4  0.1797  0.5000  0.1175  1
]