data_[Sr4Bi4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6238]
_cell_length_b [4.4456]
_cell_length_c [15.4766]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrBiS3]
_chemical_formula_sum '[Sr4 Bi4 S12]'
_cell_volume [524.5309]
_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  0.0994  0.7500  0.6922  1.0
  Bi  Bi1  4  0.1803  0.2500  0.9280  1.0
  S  S2  4  0.0213  0.2500  0.1121  1.0
  S  S3  4  0.0465  0.2500  0.4975  1.0
  S  S4  4  0.1751  0.7500  0.2766  1.0
]