data_[Li18Cu24Ni3]
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 [R-3]
_cell_length_a [6.4960]
_cell_length_b [6.4960]
_cell_length_c [15.6938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6Cu8Ni]
_chemical_formula_sum '[Li18 Cu24 Ni3]'
_cell_volume [573.5262]
_cell_formula_units_Z [3]
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  18  0.0171  0.7651  0.7106  1
  Cu  Cu1  18  0.0565  0.2491  0.1323  1
  Cu  Cu2  6  0.0000  0.0000  0.4239  1
  Ni  Ni3  3  0.0000  0.0000  0.0000  1
]