data_[Ti14Sn2Sb4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  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 [4.0166]
_cell_length_b [4.0166]
_cell_length_c [23.3772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ti7Sn(SbH)2]
_chemical_formula_sum '[Ti14 Sn2 Sb4 H4]'
_cell_volume [377.1377]
_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  0.0944  1.0
  Ti  Ti1  4  0.0000  0.0000  0.3013  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb4  4  0.0000  0.0000  0.1819  1.0
  H  H5  4  0.0000  0.0000  0.4151  1.0
]