data_[Ti14Zn2Sb4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Zn  1.6500  1.3500  0.8800
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9618]
_cell_length_b [3.9618]
_cell_length_c [23.1887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ti7Zn(SbH)2]
_chemical_formula_sum '[Ti14 Zn2 Sb4 H4]'
_cell_volume [363.9733]
_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
[
  Ti  Ti0  8  0.0000  0.5000  0.0893  1.0
  Ti  Ti1  4  0.0000  0.0000  0.2981  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  Zn  Zn3  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb4  4  0.0000  0.0000  0.1789  1.0
  H  H5  4  0.0000  0.0000  0.4167  1.0
]