data_[P6Ir4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.6202]
_cell_length_b [5.1640]
_cell_length_c [3.9304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [P3Ir2Au]
_chemical_formula_sum '[P6 Ir4 Au2]'
_cell_volume [190.7197]
_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  0.1619  0.7747  0.3334  1
  P  P1  2  0.0000  0.0779  0.0000  1
  Ir  Ir2  4  0.2078  0.3681  0.0976  1
  Au  Au3  2  0.0000  0.4162  0.5000  1
]