data_[Sr8In4Bi4S20]
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
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0947]
_cell_length_b [18.0327]
_cell_length_c [12.5695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2InBiS5]
_chemical_formula_sum '[Sr8 In4 Bi4 S20]'
_cell_volume [928.1122]
_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  0.1104  0.6802  1.0
  Sr  Sr1  4  0.0000  0.1285  0.3110  1.0
  In  In2  4  0.0000  0.4468  0.4437  1.0
  Bi  Bi3  4  0.0000  0.2169  0.0230  1.0
  S  S4  4  0.0000  0.0454  0.0580  1.0
  S  S5  4  0.0000  0.2810  0.6744  1.0
  S  S6  4  0.0000  0.3157  0.3640  1.0
  S  S7  4  0.0000  0.3625  0.9997  1.0
  S  S8  4  0.0000  0.4939  0.7699  1.0
]