data_[Sr4Bi2S8]
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 [Pbam]
_cell_length_a [7.5503]
_cell_length_b [11.7925]
_cell_length_c [4.2620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Sr2BiS4]
_chemical_formula_sum '[Sr4 Bi2 S8]'
_cell_volume [379.4763]
_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
[
  Sr  Sr0  4  0.0948  0.1844  0.5000  1.0
  Bi  Bi1  2  0.0000  0.5000  0.0000  1.0
  S  S2  4  0.1315  0.7129  0.0000  1.0
  S  S3  4  0.2316  0.4453  0.5000  1.0
]