data_[Ho12Tm1Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0043]
_cell_length_b [5.0043]
_cell_length_c [19.9078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ho12TmTh3]
_chemical_formula_sum '[Ho12 Tm1 Th3]'
_cell_volume [498.5471]
_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  4  0.0000  0.5000  0.1253  1
  Ho  Ho1  4  0.0000  0.5000  0.3749  1
  Ho  Ho2  2  0.5000  0.5000  0.2493  1
  Ho  Ho3  1  0.5000  0.5000  0.0000  1
  Ho  Ho4  1  0.5000  0.5000  0.5000  1
  Tm  Tm5  1  0.0000  0.0000  0.0000  1
  Th  Th6  2  0.0000  0.0000  0.2505  1
  Th  Th7  1  0.0000  0.0000  0.5000  1
]