data_[Li2Cu4Ni2]
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 [Cmm2]
_cell_length_a [2.7490]
_cell_length_b [4.0948]
_cell_length_c [8.3315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [LiCu2Ni]
_chemical_formula_sum '[Li2 Cu4 Ni2]'
_cell_volume [93.7827]
_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  0.0000  0.0000  0.5074  1.0
  Cu  Cu1  2  0.0000  0.0000  0.9948  1.0
  Cu  Cu2  2  0.0000  0.5000  0.2472  1.0
  Ni  Ni3  2  0.0000  0.5000  0.7506  1.0
]