data_[Li5Ni5O10]
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 [P-1]
_cell_length_a [5.0268]
_cell_length_b [5.0411]
_cell_length_c [7.6140]
_cell_angle_alpha [109.1426]
_cell_angle_beta [101.6344]
_cell_angle_gamma [100.6314]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiNiO2]
_chemical_formula_sum '[Li5 Ni5 O10]'
_cell_volume [171.8561]
_cell_formula_units_Z [5]
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  2  0.2110  0.8994  0.4046  1.0
  Li  Li1  2  0.3839  0.2846  0.7812  1.0
  Li  Li2  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni3  2  0.0967  0.6942  0.6942  1.0
  Ni  Ni4  2  0.3058  0.1067  0.1039  1.0
  Ni  Ni5  1  0.0000  0.5000  0.0000  1.0
  O  O6  2  0.0496  0.0722  0.8427  1.0
  O  O7  2  0.1295  0.3238  0.5411  1.0
  O  O8  2  0.2208  0.4911  0.2384  1.0
  O  O9  2  0.3224  0.6923  0.9296  1.0
  O  O10  2  0.4279  0.8869  0.6579  1.0
]