data_[Li2Cu2Ni4]
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 [Imm2]
_cell_length_a [2.6040]
_cell_length_b [4.1403]
_cell_length_c [8.3389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LiCuNi2]
_chemical_formula_sum '[Li2 Cu2 Ni4]'
_cell_volume [89.9054]
_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  0.5000  0.2515  1.0
  Cu  Cu1  2  0.0000  0.0000  0.4955  1.0
  Ni  Ni2  2  0.0000  0.0000  0.0072  1.0
  Ni  Ni3  2  0.0000  0.5000  0.7458  1.0
]