data_[Ti12Pb6C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pb  2.3300  1.8000  1.1225
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0392]
_cell_length_b [5.8266]
_cell_length_c [7.2868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti6Pb3C]
_chemical_formula_sum '[Ti12 Pb6 C2]'
_cell_volume [394.0322]
_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  0.1021  0.2540  0.3902  1
  Ti  Ti1  4  0.1772  0.5000  0.7704  1
  Pb  Pb2  4  0.2135  0.0000  0.7745  1
  Pb  Pb3  2  0.0000  0.0000  0.0000  1
  C  C4  2  0.0000  0.5000  0.5000  1
]