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 [C2]
_cell_length_a [7.5819]
_cell_length_b [4.3940]
_cell_length_c [4.7714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiCuNi]
_chemical_formula_sum '[Li4 Cu4 Ni4]'
_cell_volume [137.3614]
_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  4  0.1665  0.3430  0.4957  1.0
  Cu  Cu1  4  0.1702  0.5110  0.0000  1.0
  Ni  Ni2  2  0.0000  0.8465  0.5000  1.0
  Ni  Ni3  2  0.0000  0.9980  0.0000  1.0
]