data_[Hf12Ti4In12]
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 [C2/m]
_cell_length_a [11.6336]
_cell_length_b [3.2413]
_cell_length_c [16.1899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3TiIn3]
_chemical_formula_sum '[Hf12 Ti4 In12]'
_cell_volume [599.9381]
_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
[
  Hf  Hf0  4  0.0112  0.0000  0.2383  1
  Hf  Hf1  4  0.1377  0.0000  0.4747  1
  Hf  Hf2  4  0.1536  0.0000  0.9460  1
  Ti  Ti3  4  0.1994  0.5000  0.3373  1
  In  In4  4  0.0679  0.5000  0.6215  1
  In  In5  4  0.0807  0.5000  0.0895  1
  In  In6  4  0.2235  0.5000  0.7966  1
]