data_[La4Ho12Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9330]
_cell_length_b [5.2686]
_cell_length_c [8.9310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaHo3Al2]
_chemical_formula_sum '[La4 Ho12 Al8]'
_cell_volume [663.3792]
_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  0.1321  0.0000  0.1855  1.0
  Ho  Ho1  4  0.0628  0.0000  0.7155  1.0
  Ho  Ho2  4  0.1168  0.5000  0.5288  1.0
  Ho  Ho3  4  0.1875  0.5000  0.9901  1.0
  Al  Al4  4  0.0179  0.5000  0.1562  1.0
  Al  Al5  4  0.2291  0.0000  0.6045  1.0
]