data_[Co2Au2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4304]
_cell_length_b [3.1936]
_cell_length_c [7.3599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CoAuS2]
_chemical_formula_sum '[Co2 Au2 S4]'
_cell_volume [147.2665]
_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
[
  Co  Co0  2  0.3472  0.2500  0.9178  1
  Au  Au1  2  0.2998  0.7500  0.4377  1
  S  S2  2  0.1908  0.7500  0.7227  1
  S  S3  2  0.3283  0.7500  0.1218  1
]