data_[P4Au2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4162]
_cell_length_b [3.2586]
_cell_length_c [7.7905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [P2AuS2]
_chemical_formula_sum '[P4 Au2 S4]'
_cell_volume [252.2037]
_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
[
  P  P0  2  0.0673  0.0000  0.2563  1
  P  P1  2  0.4760  0.5000  0.4826  1
  Au  Au2  2  0.3008  0.0000  0.4527  1
  S  S3  2  0.1507  0.0000  0.6804  1
  S  S4  2  0.4764  0.0000  0.0726  1
]