data_[Ho12Mg2Al6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1992]
_cell_length_b [5.1369]
_cell_length_c [11.2893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho6MgAl3]
_chemical_formula_sum '[Ho12 Mg2 Al6]'
_cell_volume [507.9160]
_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
[
  Ho  Ho0  2  0.1030  0.7500  0.8795  1
  Ho  Ho1  2  0.1282  0.7500  0.1620  1
  Ho  Ho2  2  0.1769  0.2500  0.7096  1
  Ho  Ho3  2  0.2661  0.7500  0.5008  1
  Ho  Ho4  2  0.3468  0.2500  0.3202  1
  Ho  Ho5  2  0.4549  0.7500  0.0865  1
  Mg  Mg6  2  0.0404  0.2500  0.4103  1
  Al  Al7  2  0.2262  0.2500  0.0265  1
  Al  Al8  2  0.3793  0.7500  0.7858  1
  Al  Al9  2  0.4621  0.2500  0.6189  1
]