data_[Ti20Sn8H4]
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 [Pnma]
_cell_length_a [7.2828]
_cell_length_b [5.8150]
_cell_length_c [12.4187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ti5Sn2H]
_chemical_formula_sum '[Ti20 Sn8 H4]'
_cell_volume [525.9268]
_cell_formula_units_Z [4]
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  0.1659  0.5093  0.3775  1
  Ti  Ti1  4  0.0000  0.0000  0.0000  1
  Ti  Ti2  4  0.0132  0.2500  0.7896  1
  Ti  Ti3  4  0.1720  0.7500  0.5882  1
  Sn  Sn4  4  0.0144  0.7500  0.7966  1
  Sn  Sn5  4  0.1720  0.2500  0.5765  1
  H  H6  4  0.1711  0.2500  0.9472  1
]