data_[Ti24Sn3H18]
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 [R-3]
_cell_length_a [8.2710]
_cell_length_b [8.2710]
_cell_length_c [8.7786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ti8SnH6]
_chemical_formula_sum '[Ti24 Sn3 H18]'
_cell_volume [520.0818]
_cell_formula_units_Z [3]
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  18  0.0044  0.6584  0.8929  1.0
  Ti  Ti1  6  0.0000  0.0000  0.3347  1.0
  Sn  Sn2  3  0.0000  0.0000  0.0000  1.0
  H  H3  18  0.0685  0.8314  0.4020  1.0
]