data_[P8Au4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.9401]
_cell_length_b [3.2254]
_cell_length_c [8.1514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [P2Au]
_chemical_formula_sum '[P8 Au4]'
_cell_volume [249.3589]
_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
[
  P  P0  2  0.0148  0.0000  0.3653  1
  P  P1  2  0.2653  0.0000  0.8499  1
  P  P2  2  0.2802  0.5000  0.6799  1
  P  P3  2  0.4000  0.0000  0.4137  1
  Au  Au4  2  0.2218  0.5000  0.1547  1
  Au  Au5  2  0.4845  0.5000  0.0365  1
]