data_[La24Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [11.9901]
_cell_length_b [11.9901]
_cell_length_c [6.3920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [La3Ni]
_chemical_formula_sum '[La24 Ni8]'
_cell_volume [918.9251]
_cell_formula_units_Z [8]
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
[
  La  La0  8  0.0000  0.3622  0.0000  1.0
  La  La1  8  0.1025  0.1025  0.7363  1.0
  La  La2  8  0.1957  0.8043  0.7300  1.0
  Ni  Ni3  8  0.0000  0.2979  0.5000  1.0
]