data_[Ti8Sn4H2]
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 [P2_1/m]
_cell_length_a [5.1977]
_cell_length_b [5.6637]
_cell_length_c [7.9672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti4Sn2H]
_chemical_formula_sum '[Ti8 Sn4 H2]'
_cell_volume [230.7135]
_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  0.2783  0.0055  0.7157  1.0
  Ti  Ti1  2  0.1631  0.7500  0.0591  1.0
  Ti  Ti2  2  0.2165  0.2500  0.3610  1.0
  Sn  Sn3  2  0.2491  0.7500  0.4075  1.0
  Sn  Sn4  2  0.3523  0.2500  0.0379  1.0
  H  H5  2  0.0970  0.7500  0.8030  1.0
]