data_[U1Co2Ni1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.9272]
_cell_length_b [5.9272]
_cell_length_c [4.1125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [UCo2NiO6]
_chemical_formula_sum '[U1 Co2 Ni1 O6]'
_cell_volume [144.4766]
_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
[
  U  U0  1  0.0000  0.0000  0.5000  1
  Co  Co1  2  0.0000  0.5000  0.5000  1
  Ni  Ni2  1  0.5000  0.5000  0.5000  1
  O  O3  4  0.2514  0.2514  0.5000  1
  O  O4  1  0.0000  0.0000  0.0000  1
  O  O5  1  0.5000  0.5000  0.0000  1
]