data_[Ba2Ga2Bi2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8071]
_cell_length_b [6.8732]
_cell_length_c [8.5148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaGaBiS4]
_chemical_formula_sum '[Ba2 Ga2 Bi2 S8]'
_cell_volume [378.9084]
_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
[
  Ba  Ba0  2  0.2640  0.2500  0.0577  1.0
  Ga  Ga1  2  0.2355  0.7500  0.3185  1.0
  Bi  Bi2  2  0.2264  0.2500  0.5308  1.0
  S  S3  4  0.0110  0.0064  0.2726  1.0
  S  S4  2  0.4331  0.7500  0.1482  1.0
  S  S5  2  0.4489  0.7500  0.5837  1.0
]