data_[Li10Ni2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [10.1756]
_cell_length_b [3.2639]
_cell_length_c [7.0999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.7782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5NiO4]
_chemical_formula_sum '[Li10 Ni2 O8]'
_cell_volume [178.5623]
_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  0.1775  0.5000  0.3590  1
  Li  Li1  4  0.2124  0.0000  0.8565  1
  Li  Li2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  2  0.0000  0.5000  0.5000  1
  O  O4  4  0.0591  0.5000  0.8082  1
  O  O5  4  0.2428  0.5000  0.6833  1
]