data_[La4Al4Si4Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [5.2666]
_cell_length_b [7.4207]
_cell_length_c [13.2978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [LaAlSiNi6]
_chemical_formula_sum '[La4 Al4 Si4 Ni24]'
_cell_volume [519.7015]
_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
[
  La  La0  4  0.0000  0.2500  0.4956  1
  Al  Al1  4  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.2500  0.2500  0.2500  1
  Ni  Ni3  16  0.2454  0.0216  0.6574  1
  Ni  Ni4  4  0.0000  0.2500  0.1127  1
  Ni  Ni5  4  0.0000  0.2500  0.7480  1
]