data_[Ti14Sn2H10]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.5267]
_cell_length_b [8.0230]
_cell_length_c [8.6443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ti7SnH5]
_chemical_formula_sum '[Ti14 Sn2 H10]'
_cell_volume [313.9396]
_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  4  0.0000  0.3277  0.3985  1
  Ti  Ti1  4  0.0000  0.3381  0.0596  1
  Ti  Ti2  2  0.0000  0.0000  0.4093  1
  Ti  Ti3  2  0.0000  0.0000  0.7217  1
  Ti  Ti4  2  0.0000  0.5000  0.7455  1
  Sn  Sn5  2  0.0000  0.0000  0.0492  1
  H  H6  8  0.2325  0.2190  0.7313  1
  H  H7  2  0.0000  0.5000  0.2332  1
]