data_[Al2Bi4S8]
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_1/m]
_cell_length_a [6.8572]
_cell_length_b [6.7410]
_cell_length_c [8.2525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Al(BiS2)2]
_chemical_formula_sum '[Al2 Bi4 S8]'
_cell_volume [367.2596]
_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  0.2714  0.7500  0.2127  1
  Bi  Bi1  2  0.2174  0.2500  0.9483  1
  Bi  Bi2  2  0.2964  0.2500  0.4412  1
  S  S3  4  0.4928  0.0044  0.2775  1
  S  S4  2  0.0374  0.7500  0.3565  1
  S  S5  2  0.1007  0.7500  0.9358  1
]