data_[Li8Ni8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.5314]
_cell_length_b [4.9239]
_cell_length_c [8.2023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [LiNi]
_chemical_formula_sum '[Li8 Ni8]'
_cell_volume [183.0138]
_cell_formula_units_Z [8]
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  4  0.0087  0.1178  0.2500  1.0
  Li  Li1  4  0.1997  0.8608  0.0002  1.0
  Ni  Ni2  4  0.0259  0.6036  0.7379  1.0
  Ni  Ni3  4  0.1898  0.3500  0.9856  1.0
]