data_[Sr8In4Pb4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [4.0742]
_cell_length_b [18.2178]
_cell_length_c [12.4723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2InPbS5]
_chemical_formula_sum '[Sr8 In4 Pb4 S20]'
_cell_volume [925.7401]
_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
[
  Sr  Sr0  4  0.0000  0.1073  0.6752  1.0
  Sr  Sr1  4  0.0000  0.1262  0.3085  1.0
  In  In2  4  0.0000  0.4444  0.4442  1.0
  Pb  Pb3  4  0.0000  0.2215  0.0249  1.0
  S  S4  4  0.0000  0.0467  0.0592  1.0
  S  S5  4  0.0000  0.2768  0.6809  1.0
  S  S6  4  0.0000  0.3142  0.3650  1.0
  S  S7  4  0.0000  0.3665  0.9966  1.0
  S  S8  4  0.0000  0.4961  0.7695  1.0
]