data_[Li4Cu20Ni4]
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/c]
_cell_length_a [8.8492]
_cell_length_b [8.9756]
_cell_length_c [4.6472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCu5Ni]
_chemical_formula_sum '[Li4 Cu20 Ni4]'
_cell_volume [348.8090]
_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  0.0000  0.4293  0.7500  1.0
  Cu  Cu1  8  0.1536  0.1823  0.8245  1.0
  Cu  Cu2  8  0.2483  0.0960  0.4021  1.0
  Cu  Cu3  4  0.0000  0.2607  0.2500  1.0
  Ni  Ni4  4  0.0000  0.0000  0.0000  1.0
]