data_[Pr4In4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0956]
_cell_length_b [18.1980]
_cell_length_c [12.8420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PrInPb2S5]
_chemical_formula_sum '[Pr4 In4 Pb8 S20]'
_cell_volume [957.1260]
_cell_formula_units_Z [4]
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  0.0000  0.2074  0.0164  1.0
  In  In1  4  0.0000  0.4580  0.4414  1.0
  Pb  Pb2  4  0.0000  0.1272  0.3127  1.0
  Pb  Pb3  4  0.0000  0.1300  0.6697  1.0
  S  S4  4  0.0000  0.0444  0.0546  1.0
  S  S5  4  0.0000  0.2877  0.6708  1.0
  S  S6  4  0.0000  0.3250  0.3684  1.0
  S  S7  4  0.0000  0.3612  0.0154  1.0
  S  S8  4  0.0000  0.4788  0.7746  1.0
]