data_[La6Al4Ni18]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0120]
_cell_length_b [9.2943]
_cell_length_c [12.3113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3Al2Ni9]
_chemical_formula_sum '[La6 Al4 Ni18]'
_cell_volume [459.0718]
_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
[
  La  La0  4  0.0000  0.0000  0.2948  1.0
  La  La1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.0000  0.2064  0.5000  1.0
  Ni  Ni3  8  0.0000  0.2747  0.1051  1.0
  Ni  Ni4  8  0.0000  0.2992  0.3030  1.0
  Ni  Ni5  2  0.0000  0.5000  0.0000  1.0
]