data_[Li8Ni4]
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 [Cm]
_cell_length_a [9.7561]
_cell_length_b [2.5922]
_cell_length_c [6.3186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li2Ni]
_chemical_formula_sum '[Li8 Ni4]'
_cell_volume [154.0053]
_cell_formula_units_Z [4]
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  0.0061  0.0000  0.9931  1.0
  Li  Li1  2  0.1573  0.5000  0.3493  1.0
  Li  Li2  2  0.2774  0.0000  0.0576  1.0
  Li  Li3  2  0.3242  0.0000  0.6588  1.0
  Ni  Ni4  2  0.0943  0.5000  0.7062  1.0
  Ni  Ni5  2  0.4452  0.5000  0.4015  1.0
]