data_[Li6Ni6]
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 [9.5122]
_cell_length_b [2.4522]
_cell_length_c [6.0786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiNi]
_chemical_formula_sum '[Li6 Ni6]'
_cell_volume [137.7490]
_cell_formula_units_Z [6]
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  0.1070  0.5000  0.2185  1.0
  Li  Li1  2  0.4451  0.5000  0.8784  1.0
  Li  Li2  2  0.4952  0.5000  0.5116  1.0
  Ni  Ni3  2  0.1909  0.5000  0.8413  1.0
  Ni  Ni4  2  0.2655  0.0000  0.5448  1.0
  Ni  Ni5  2  0.3220  0.0000  0.1719  1.0
]