data_[Ho16Th32Pt48]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.2336]
_cell_length_b [11.7405]
_cell_length_c [25.1428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [HoTh2Pt3]
_chemical_formula_sum '[Ho16 Th32 Pt48]'
_cell_volume [2430.4575]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.0832  1
  Th  Th1  16  0.0000  0.0000  0.2513  1
  Th  Th2  16  0.0000  0.0000  0.4173  1
  Pt  Pt3  32  0.0024  0.2492  0.0836  1
  Pt  Pt4  16  0.0028  0.2500  0.2500  1
]