data_[Li3Ni5O10]
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 [P1]
_cell_length_a [4.9922]
_cell_length_b [5.8393]
_cell_length_c [6.4794]
_cell_angle_alpha [105.3507]
_cell_angle_beta [96.9249]
_cell_angle_gamma [106.5490]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3(NiO2)5]
_chemical_formula_sum '[Li3 Ni5 O10]'
_cell_volume [170.6287]
_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  1  0.3983  0.3024  0.8053  1
  Li  Li1  1  0.5990  0.7001  0.2020  1
  Li  Li2  1  0.8016  0.1029  0.5957  1
  Ni  Ni3  1  0.2003  0.4077  0.3930  1
  Ni  Ni4  1  0.3988  0.8000  0.8008  1
  Ni  Ni5  1  0.5986  0.1970  0.1966  1
  Ni  Ni6  1  0.8023  0.6003  0.6020  1
  Ni  Ni7  1  0.9994  0.9943  0.0043  1
  O  O8  1  0.0956  0.9230  0.7241  1
  O  O9  1  0.1022  0.4827  0.6918  1
  O  O10  1  0.3116  0.3154  0.1037  1
  O  O11  1  0.3309  0.8699  0.0835  1
  O  O12  1  0.5257  0.7439  0.5303  1
  O  O13  1  0.5358  0.2781  0.4887  1
  O  O14  1  0.6688  0.1213  0.9094  1
  O  O15  1  0.6840  0.6682  0.8773  1
  O  O16  1  0.8641  0.5285  0.3176  1
  O  O17  1  0.8832  0.0643  0.2740  1
]