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 [P-1]
_cell_length_a [4.9910]
_cell_length_b [5.8501]
_cell_length_c [6.4935]
_cell_angle_alpha [105.3928]
_cell_angle_beta [96.9548]
_cell_angle_gamma [106.0410]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3(NiO2)5]
_chemical_formula_sum '[Li3 Ni5 O10]'
_cell_volume [171.7650]
_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  0.2981  0.1018  0.6049  1.0
  Li  Li1  1  0.5000  0.5000  0.0000  1.0
  Ni  Ni2  2  0.1009  0.2058  0.1938  1.0
  Ni  Ni3  2  0.2983  0.5992  0.5991  1.0
  Ni  Ni4  1  0.5000  0.0000  0.0000  1.0
  O  O5  2  0.0053  0.2805  0.4841  1.0
  O  O6  2  0.2193  0.1297  0.9143  1.0
  O  O7  2  0.2316  0.6731  0.8831  1.0
  O  O8  2  0.4230  0.5409  0.3282  1.0
  O  O9  2  0.4334  0.0808  0.2892  1.0
]