data_[Ni4P2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.8733]
_cell_length_b [2.9856]
_cell_length_c [4.9228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ni2PAu]
_chemical_formula_sum '[Ni4 P2 Au2]'
_cell_volume [115.7142]
_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
[
  Ni  Ni0  2  0.2669  0.0000  0.3062  1
  Ni  Ni1  2  0.4800  0.5000  0.0577  1
  P  P2  2  0.0508  0.5000  0.3549  1
  Au  Au3  2  0.2023  0.5000  0.7812  1
]