data_[Ti6H2Pb2]
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 [P2_1/m]
_cell_length_a [5.3695]
_cell_length_b [5.8080]
_cell_length_c [5.3925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti3HPb]
_chemical_formula_sum '[Ti6 H2 Pb2]'
_cell_volume [152.8796]
_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  0.2493  0.0018  0.7576  1.0
  Ti  Ti1  2  0.2396  0.7500  0.2283  1.0
  H  H2  2  0.0458  0.7500  0.4524  1.0
  Pb  Pb3  2  0.2707  0.2500  0.2590  1.0
]