data_[Ho4Th1Al5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5506]
_cell_length_b [3.5506]
_cell_length_c [18.6869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ho4ThAl5]
_chemical_formula_sum '[Ho4 Th1 Al5]'
_cell_volume [235.5820]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.2086  1
  Ho  Ho1  2  0.0000  0.0000  0.4032  1
  Th  Th2  1  0.0000  0.0000  0.0000  1
  Al  Al3  2  0.5000  0.5000  0.1103  1
  Al  Al4  2  0.5000  0.5000  0.3064  1
  Al  Al5  1  0.5000  0.5000  0.5000  1
]