data_[Cu1Ni2As1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9013]
_cell_length_b [5.0910]
_cell_length_c [5.2292]
_cell_angle_alpha [63.7623]
_cell_angle_beta [89.2444]
_cell_angle_gamma [62.6941]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuNi2AsO6]
_chemical_formula_sum '[Cu1 Ni2 As1 O6]'
_cell_volume [101.0105]
_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
[
  Cu  Cu0  1  0.8122  0.3785  0.4445  1.0
  Ni  Ni1  1  0.0099  0.9675  0.0428  1.0
  Ni  Ni2  1  0.5316  0.9390  0.5685  1.0
  As  As3  1  0.3164  0.3622  0.9605  1.0
  O  O4  1  0.0988  0.4800  0.2349  1.0
  O  O5  1  0.2503  0.7842  0.7808  1.0
  O  O6  1  0.3999  0.9247  0.2096  1.0
  O  O7  1  0.5931  0.1940  0.7469  1.0
  O  O8  1  0.7048  0.1862  0.2482  1.0
  O  O9  1  0.9447  0.4605  0.7480  1.0
]