data_[Li6Cu14Ni2]
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/m]
_cell_length_a [8.1285]
_cell_length_b [8.5154]
_cell_length_c [4.6642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Cu7Ni]
_chemical_formula_sum '[Li6 Cu14 Ni2]'
_cell_volume [294.3261]
_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  4  0.0000  0.2221  0.0000  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  Cu  Cu2  8  0.1699  0.2510  0.6786  1
  Cu  Cu3  4  0.2092  0.0000  0.0482  1
  Cu  Cu4  2  0.0000  0.5000  0.0000  1
  Ni  Ni5  2  0.0000  0.5000  0.5000  1
]