data_[Ti8H2Pb2]
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 [Pmma]
_cell_length_a [7.5500]
_cell_length_b [3.0502]
_cell_length_c [8.7301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Ti4HPb]
_chemical_formula_sum '[Ti8 H2 Pb2]'
_cell_volume [201.0480]
_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  0.0710  0.5000  0.2745  1
  Ti  Ti1  2  0.0000  0.0000  0.0000  1
  Ti  Ti2  2  0.2500  0.5000  0.8263  1
  H  H3  2  0.2500  0.0000  0.9505  1
  Pb  Pb4  2  0.2500  0.0000  0.5350  1
]