data_[Ba2Ga2Sb2S8]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5969]
_cell_length_b [6.8115]
_cell_length_c [8.3605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaGaSbS4]
_chemical_formula_sum '[Ba2 Ga2 Sb2 S8]'
_cell_volume [409.0000]
_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  0.2670  0.2500  0.0248  1
  Ga  Ga1  2  0.2771  0.7500  0.3084  1
  Sb  Sb2  2  0.2339  0.2500  0.4879  1
  S  S3  4  0.0660  0.0051  0.2707  1
  S  S4  2  0.3963  0.7500  0.0994  1
  S  S5  2  0.4741  0.7500  0.5856  1
]