data_[Bi2Au2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5336]
_cell_length_b [6.8557]
_cell_length_c [7.3813]
_cell_angle_alpha [90.7637]
_cell_angle_beta [101.9153]
_cell_angle_gamma [107.8562]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BiAuS2]
_chemical_formula_sum '[Bi2 Au2 S4]'
_cell_volume [212.9377]
_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
[
  Bi  Bi0  1  0.1723  0.9458  0.7687  1.0
  Bi  Bi1  1  0.7101  0.9292  0.2675  1.0
  Au  Au2  1  0.2692  0.4383  0.7134  1.0
  Au  Au3  1  0.9408  0.4307  0.0335  1.0
  S  S4  1  0.0609  0.7264  0.4490  1.0
  S  S5  1  0.1730  0.1851  0.1479  1.0
  S  S6  1  0.7094  0.6773  0.9097  1.0
  S  S7  1  0.8138  0.1539  0.5984  1.0
]