data_[Hf2Ti14Sb4H4]
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
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6099]
_cell_length_b [5.6068]
_cell_length_c [12.3927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfTi7(SbH)2]
_chemical_formula_sum '[Hf2 Ti14 Sb4 H4]'
_cell_volume [380.7954]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Ti  Ti1  8  0.1594  0.2505  0.8085  1
  Ti  Ti2  4  0.1899  0.5000  0.4096  1
  Ti  Ti3  2  0.0000  0.5000  0.0000  1
  Sb  Sb4  4  0.1706  0.0000  0.3628  1
  H  H5  4  0.0788  0.5000  0.1658  1
]