data_[Li2Cu12Ni6]
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 [P2_1/m]
_cell_length_a [9.2727]
_cell_length_b [2.4823]
_cell_length_c [10.2686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(Cu2Ni)3]
_chemical_formula_sum '[Li2 Cu12 Ni6]'
_cell_volume [232.2522]
_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  0.0415  0.7500  0.7183  1.0
  Cu  Cu1  2  0.1342  0.7500  0.4941  1.0
  Cu  Cu2  2  0.1943  0.2500  0.9236  1.0
  Cu  Cu3  2  0.2152  0.2500  0.2885  1.0
  Cu  Cu4  2  0.2790  0.2500  0.7064  1.0
  Cu  Cu5  2  0.3413  0.7500  0.1191  1.0
  Cu  Cu6  2  0.4877  0.2500  0.3067  1.0
  Ni  Ni7  2  0.0728  0.7500  0.0913  1.0
  Ni  Ni8  2  0.3794  0.2500  0.5011  1.0
  Ni  Ni9  2  0.4260  0.7500  0.9053  1.0
]