data_[P4W2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.1759]
_cell_length_b [3.1391]
_cell_length_c [5.1626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [P2WAu]
_chemical_formula_sum '[P4 W2 Au2]'
_cell_volume [132.4351]
_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  4  0.2105  0.0000  0.1779  1
  W  W1  2  0.0000  0.5000  0.0000  1
  Au  Au2  2  0.0000  0.0000  0.5000  1
]