data_[Li4Nd16Ni8]
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 [Cc]
_cell_length_a [8.7354]
_cell_length_b [15.1757]
_cell_length_c [6.8597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Li(Nd2Ni)2]
_chemical_formula_sum '[Li4 Nd16 Ni8]'
_cell_volume [714.5450]
_cell_formula_units_Z [4]
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  0.0541  0.1341  0.3844  1.0
  Nd  Nd1  4  0.0902  0.3249  0.2520  1.0
  Nd  Nd2  4  0.2812  0.2347  0.9590  1.0
  Nd  Nd3  4  0.3178  0.0274  0.2242  1.0
  Nd  Nd4  4  0.3310  0.4729  0.0944  1.0
  Ni  Ni5  4  0.0775  0.4016  0.6283  1.0
  Ni  Ni6  4  0.4894  0.3435  0.4597  1.0
]