data_[Sr2Bi2B2S8]
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
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3868]
_cell_length_b [6.3523]
_cell_length_c [8.0496]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6695]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrBiBS4]
_chemical_formula_sum '[Sr2 Bi2 B2 S8]'
_cell_volume [311.1757]
_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  2  0.2842  0.7500  0.0688  1.0
  Bi  Bi1  2  0.2381  0.7500  0.5451  1.0
  B  B2  2  0.2159  0.2500  0.3031  1.0
  S  S3  4  0.0236  0.0112  0.2541  1.0
  S  S4  2  0.3880  0.2500  0.5512  1.0
  S  S5  2  0.4061  0.2500  0.1511  1.0
]