data_[Al4Bi4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7661]
_cell_length_b [3.4717]
_cell_length_c [9.7501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlBiS]
_chemical_formula_sum '[Al4 Bi4 S4]'
_cell_volume [370.6523]
_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  0.1687  0.5000  0.3519  1.0
  Bi  Bi1  4  0.0659  0.5000  0.9053  1.0
  S  S2  4  0.2007  0.5000  0.6128  1.0
]