data_[Ba2P2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0873]
_cell_length_b [5.1177]
_cell_length_c [8.1056]
_cell_angle_alpha [103.8861]
_cell_angle_beta [101.7454]
_cell_angle_gamma [103.6033]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaPAu]
_chemical_formula_sum '[Ba2 P2 Au2]'
_cell_volume [191.4079]
_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
[
  Ba  Ba0  2  0.4569  0.2411  0.7198  1.0
  P  P1  2  0.1649  0.1708  0.3120  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  Au  Au3  1  0.0000  0.5000  0.5000  1.0
]