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 [P2_1/c]
_cell_length_a [5.9610]
_cell_length_b [5.1077]
_cell_length_c [8.1289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [P2Au]
_chemical_formula_sum '[P8 Au4]'
_cell_volume [234.6361]
_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  4  0.0876  0.6041  0.4134  1.0
  P  P1  4  0.2283  0.1960  0.7719  1.0
  Au  Au2  4  0.3777  0.6188  0.1083  1.0
]