data_[Li6Cr2Ni4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  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 [12.9302]
_cell_length_b [2.9027]
_cell_length_c [5.8427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9622]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Cr(NiO3)2]
_chemical_formula_sum '[Li6 Cr2 Ni4 O12]'
_cell_volume [213.6981]
_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  0.1679  0.5000  0.3249  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni3  4  0.1667  0.5000  0.8383  1.0
  O  O4  4  0.0016  0.5000  0.2713  1.0
  O  O5  4  0.1560  0.0000  0.5947  1.0
  O  O6  4  0.1684  0.0000  0.0696  1.0
]