data_[Ga2Au2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [3.8010]
_cell_length_b [8.7864]
_cell_length_c [6.5998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [GaAuS2]
_chemical_formula_sum '[Ga2 Au2 S4]'
_cell_volume [183.7193]
_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
[
  Ga  Ga0  2  0.2376  0.3844  0.3880  1.0
  Au  Au1  2  0.7823  0.0049  0.8191  1.0
  S  S2  2  0.2349  0.1792  0.5957  1.0
  S  S3  2  0.4824  0.3964  0.1307  1.0
]