data_[Li5Cu4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8344]
_cell_length_b [2.5279]
_cell_length_c [8.3432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li5(Cu2Ni)2]
_chemical_formula_sum '[Li5 Cu4 Ni2]'
_cell_volume [143.8643]
_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  0.1485  0.0000  0.1415  1.0
  Li  Li1  2  0.4410  0.0000  0.6616  1.0
  Li  Li2  1  0.5000  0.0000  0.0000  1.0
  Cu  Cu3  2  0.2012  0.5000  0.8649  1.0
  Cu  Cu4  2  0.2391  0.5000  0.4183  1.0
  Ni  Ni5  2  0.0755  0.0000  0.6324  1.0
]