data_[Li8Nd2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [3.8350]
_cell_length_b [16.0728]
_cell_length_c [4.0034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li4NdNi2]
_chemical_formula_sum '[Li8 Nd2 Ni4]'
_cell_volume [246.7665]
_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  0.1809  0.5000  1
  Li  Li1  4  0.0000  0.3258  0.0000  1
  Nd  Nd2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  4  0.0000  0.4278  0.5000  1
]