data_[Li6Cu2Ni4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3879]
_cell_length_b [2.9366]
_cell_length_c [5.8751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Cu(NiO3)2]
_chemical_formula_sum '[Li6 Cu2 Ni4 O12]'
_cell_volume [206.9106]
_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
[
  Li  Li0  4  0.1684  0.0000  0.8359  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni3  4  0.1681  0.0000  0.3319  1.0
  O  O4  4  0.0108  0.0000  0.2436  1.0
  O  O5  4  0.1625  0.5000  0.0954  1.0
  O  O6  4  0.1752  0.5000  0.5765  1.0
]