data_[Ho4Ti4Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [12.8912]
_cell_length_b [6.2866]
_cell_length_c [6.1383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [HoTiSb3]
_chemical_formula_sum '[Ho4 Ti4 Sb12]'
_cell_volume [497.4568]
_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
[
  Ho  Ho0  4  0.3160  0.5100  0.2500  1.0
  Ti  Ti1  4  0.0941  0.2500  0.0000  1.0
  Sb  Sb2  4  0.0734  0.6120  0.2500  1.0
  Sb  Sb3  4  0.2343  0.0020  0.2500  1.0
  Sb  Sb4  4  0.4968  0.2500  0.0000  1.0
]