data_[La6Al24]
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
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.3752]
_cell_length_b [13.1174]
_cell_length_c [11.1379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [LaAl4]
_chemical_formula_sum '[La6 Al24]'
_cell_volume [639.2203]
_cell_formula_units_Z [6]
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  0.3326  0.0036  1.0
  La  La1  2  0.0000  0.0000  0.9904  1.0
  Al  Al2  4  0.0000  0.1607  0.2473  1.0
  Al  Al3  4  0.0000  0.1734  0.7474  1.0
  Al  Al4  4  0.0000  0.3293  0.3805  1.0
  Al  Al5  4  0.0000  0.3387  0.6110  1.0
  Al  Al6  2  0.0000  0.0000  0.3914  1.0
  Al  Al7  2  0.0000  0.0000  0.6213  1.0
  Al  Al8  2  0.0000  0.5000  0.2518  1.0
  Al  Al9  2  0.0000  0.5000  0.7545  1.0
]