data_[Li4Cu4Ni4]
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 [Cm]
_cell_length_a [8.0120]
_cell_length_b [3.6633]
_cell_length_c [5.0249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCuNi]
_chemical_formula_sum '[Li4 Cu4 Ni4]'
_cell_volume [138.7786]
_cell_formula_units_Z [4]
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  0.1309  0.0000  0.8271  1.0
  Li  Li1  2  0.4573  0.0000  0.4902  1.0
  Cu  Cu2  2  0.1283  0.0000  0.3123  1.0
  Cu  Cu3  2  0.2963  0.5000  0.6600  1.0
  Ni  Ni4  2  0.2932  0.5000  0.1537  1.0
  Ni  Ni5  2  0.4598  0.0000  0.0052  1.0
]