data_[Ga2Ni2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.9330]
_cell_length_b [2.9330]
_cell_length_c [10.1334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [GaNiAu]
_chemical_formula_sum '[Ga2 Ni2 Au2]'
_cell_volume [87.1747]
_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
[
  Ga  Ga0  1  0.5000  0.5000  0.4748  1.0
  Ga  Ga1  1  0.5000  0.5000  0.7652  1.0
  Ni  Ni2  1  0.0000  0.0000  0.3450  1.0
  Ni  Ni3  1  0.0000  0.0000  0.6216  1.0
  Au  Au4  1  0.0000  0.0000  0.9532  1.0
  Au  Au5  1  0.5000  0.5000  0.1686  1.0
]