data_[Hf24Ti3In18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.2952]
_cell_length_b [8.2952]
_cell_length_c [17.9554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Hf8TiIn6]
_chemical_formula_sum '[Hf24 Ti3 In18]'
_cell_volume [1069.9851]
_cell_formula_units_Z [3]
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
[
  Hf  Hf0  18  0.0031  0.6563  0.8862  1
  Hf  Hf1  6  0.0000  0.0000  0.3337  1
  Ti  Ti2  3  0.0000  0.0000  0.0000  1
  In  In3  18  0.0012  0.6801  0.0591  1
]