data_[Li2Ni4Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.9878]
_cell_length_b [2.5366]
_cell_length_c [4.3982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiNi2Ru]
_chemical_formula_sum '[Li2 Ni4 Ru2]'
_cell_volume [96.5565]
_cell_formula_units_Z [2]
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  0.2368  0.5000  0.1897  1.0
  Ni  Ni1  2  0.2638  0.0000  0.6984  1.0
  Ni  Ni2  2  0.4798  0.5000  0.0484  1.0
  Ru  Ru3  2  0.0196  0.5000  0.5635  1.0
]