data_[Li2Cu2Ni28]
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 [Amm2]
_cell_length_a [8.1662]
_cell_length_b [4.9704]
_cell_length_c [8.6328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiCuNi14]
_chemical_formula_sum '[Li2 Cu2 Ni28]'
_cell_volume [350.3946]
_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  0.5000  0.0000  0.9589  1
  Cu  Cu1  2  0.5000  0.0000  0.4587  1
  Ni  Ni2  8  0.2475  0.2498  0.8739  1
  Ni  Ni3  4  0.0000  0.2500  0.0415  1
  Ni  Ni4  4  0.2504  0.0000  0.1255  1
  Ni  Ni5  4  0.2517  0.0000  0.6255  1
  Ni  Ni6  4  0.5000  0.2499  0.7096  1
  Ni  Ni7  2  0.0000  0.0000  0.2910  1
  Ni  Ni8  2  0.0000  0.0000  0.7913  1
]