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 [4.9880]
_cell_length_b [5.6907]
_cell_length_c [7.6109]
_cell_angle_alpha [93.3710]
_cell_angle_beta [106.3172]
_cell_angle_gamma [115.7463]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li4(NiO2)5]
_chemical_formula_sum '[Li4 Ni5 O10]'
_cell_volume [182.6208]
_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  0.2063  0.9424  0.1582  1
  Li  Li1  2  0.2194  0.0630  0.6535  1
  Ni  Ni2  2  0.1034  0.5047  0.7012  1
  Ni  Ni3  2  0.3000  0.5014  0.0974  1
  Ni  Ni4  1  0.5000  0.5000  0.5000  1
  O  O5  2  0.0712  0.2975  0.4820  1
  O  O6  2  0.1392  0.6942  0.9288  1
  O  O7  2  0.2575  0.2907  0.8770  1
  O  O8  2  0.3324  0.7094  0.3123  1
  O  O9  2  0.4537  0.3119  0.2692  1
]