data_[Al4Ga8Bi4S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [C2/c]
_cell_length_a [12.5527]
_cell_length_b [11.9133]
_cell_length_c [6.9119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlGa2BiS6]
_chemical_formula_sum '[Al4 Ga8 Bi4 S24]'
_cell_volume [965.4423]
_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
[
  Al  Al0  4  0.0000  0.1991  0.7500  1
  Ga  Ga1  8  0.1680  0.4314  0.1972  1
  Bi  Bi2  4  0.0000  0.1168  0.2500  1
  S  S3  8  0.1198  0.0737  0.6712  1
  S  S4  8  0.1253  0.2518  0.0620  1
  S  S5  8  0.1317  0.4161  0.4950  1
]