data_[Pr12Ge4Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  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 [18.6052]
_cell_length_b [4.2559]
_cell_length_c [8.6047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ge2PbS3]
_chemical_formula_sum '[Pr12 Ge4 Pb2 S6]'
_cell_volume [662.2545]
_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  0.0007  0.0000  0.7313  1.0
  Pr  Pr1  4  0.1677  0.5000  0.5833  1.0
  Pr  Pr2  4  0.1734  0.5000  0.0882  1.0
  Ge  Ge3  4  0.1663  0.0000  0.3334  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.1667  0.0000  0.8318  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]