data_[Al2Bi2S4]
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 [P2/c]
_cell_length_a [8.4679]
_cell_length_b [3.5044]
_cell_length_c [6.2101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2961]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [AlBiS2]
_chemical_formula_sum '[Al2 Bi2 S4]'
_cell_volume [178.5771]
_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
[
  Al  Al0  2  0.0000  0.2498  0.2500  1.0
  Bi  Bi1  2  0.5000  0.2065  0.7500  1.0
  S  S2  4  0.1584  0.2466  0.6354  1.0
]