data_[Cr1Ni1Au2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  Au  2.5400  1.3500  1.0700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.0128]
_cell_length_b [3.0128]
_cell_length_c [12.2469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CrNi(AuO2)2]
_chemical_formula_sum '[Cr1 Ni1 Au2 O4]'
_cell_volume [96.2699]
_cell_formula_units_Z [1]
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
[
  Cr  Cr0  1  0.0000  0.0000  0.5000  1
  Ni  Ni1  1  0.0000  0.0000  0.0000  1
  Au  Au2  2  0.3333  0.6667  0.2468  1
  O  O3  2  0.3333  0.6667  0.0826  1
  O  O4  2  0.3333  0.6667  0.4177  1
]