data_[Li4Ni5O10]
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 [5.0646]
_cell_length_b [5.8157]
_cell_length_c [6.4161]
_cell_angle_alpha [104.6771]
_cell_angle_beta [96.7424]
_cell_angle_gamma [107.3835]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4(NiO2)5]
_chemical_formula_sum '[Li4 Ni5 O10]'
_cell_volume [170.6057]
_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
[
  Li  Li0  2  0.1975  0.3861  0.3917  1.0
  Li  Li1  2  0.3997  0.8077  0.8118  1.0
  Ni  Ni2  2  0.2036  0.9031  0.3999  1.0
  Ni  Ni3  2  0.3951  0.2976  0.7978  1.0
  Ni  Ni4  1  0.0000  0.5000  0.0000  1.0
  O  O5  2  0.1048  0.4207  0.7012  1.0
  O  O6  2  0.1246  0.9666  0.6846  1.0
  O  O7  2  0.3267  0.8374  0.1261  1.0
  O  O8  2  0.3339  0.3747  0.0915  1.0
  O  O9  2  0.4803  0.2401  0.5151  1.0
]