data_[Ti10H2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [5.8587]
_cell_length_b [5.8587]
_cell_length_c [8.3567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ti5HPb2]
_chemical_formula_sum '[Ti10 H2 Pb4]'
_cell_volume [286.8372]
_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  8  0.2474  0.2474  0.4950  1
  Ti  Ti1  2  0.0000  0.0000  0.2446  1
  H  H2  2  0.0000  0.0000  0.0062  1
  Pb  Pb3  4  0.0000  0.5000  0.2460  1
]