data_[Ti4Te4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7337]
_cell_length_b [3.6695]
_cell_length_c [6.8268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiTePb]
_chemical_formula_sum '[Ti4 Te4 Pb4]'
_cell_volume [318.9655]
_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  4  0.1246  0.5000  0.5139  1
  Te  Te1  4  0.2170  0.0000  0.7657  1
  Pb  Pb2  4  0.0341  0.0000  0.2206  1
]