data_[Li4La24Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.7176]
_cell_length_b [10.2757]
_cell_length_c [10.5726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li(La3Ni)2]
_chemical_formula_sum '[Li4 La24 Ni8]'
_cell_volume [1055.7250]
_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  2  0.0000  0.0000  0.0000  1
  Li  Li1  2  0.0000  0.0000  0.5000  1
  La  La2  8  0.0000  0.2006  0.2240  1
  La  La3  8  0.1889  0.5000  0.1756  1
  La  La4  8  0.2048  0.3239  0.5000  1
  Ni  Ni5  4  0.0000  0.3423  0.0000  1
  Ni  Ni6  4  0.0000  0.5000  0.3732  1
]