data_[Ti8Sn6H4]
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 [C2/m]
_cell_length_a [9.8807]
_cell_length_b [3.8127]
_cell_length_c [7.4781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti4Sn3H2]
_chemical_formula_sum '[Ti8 Sn6 H4]'
_cell_volume [276.8284]
_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  0.1391  0.0000  0.4215  1.0
  Ti  Ti1  4  0.2004  0.5000  0.1325  1.0
  Sn  Sn2  4  0.0916  0.5000  0.7121  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  H  H4  4  0.1995  0.5000  0.3934  1.0
]