data_[Al4Cu4Bi8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8201]
_cell_length_b [17.7395]
_cell_length_c [11.9616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AlCuBi2S5]
_chemical_formula_sum '[Al4 Cu4 Bi8 S20]'
_cell_volume [810.6001]
_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  0.2097  0.0066  1.0
  Cu  Cu1  4  0.0000  0.4580  0.4594  1.0
  Bi  Bi2  4  0.0000  0.1002  0.2626  1.0
  Bi  Bi3  4  0.0000  0.1510  0.7005  1.0
  S  S4  4  0.0000  0.0759  0.0408  1.0
  S  S5  4  0.0000  0.2835  0.3783  1.0
  S  S6  4  0.0000  0.2943  0.6533  1.0
  S  S7  4  0.0000  0.3454  0.0398  1.0
  S  S8  4  0.0000  0.4944  0.2826  1.0
]