data_[Ti24Mn8Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.0504]
_cell_length_b [8.4977]
_cell_length_c [6.1098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti3MnPb]
_chemical_formula_sum '[Ti24 Mn8 Pb8]'
_cell_volume [765.4527]
_cell_formula_units_Z [8]
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  0.1384  0.4910  0.8199  1
  Ti  Ti1  8  0.1745  0.1955  0.5876  1
  Ti  Ti2  8  0.1753  0.1967  0.0877  1
  Mn  Mn3  8  0.2432  0.0021  0.3716  1
  Pb  Pb4  4  0.0000  0.1655  0.7500  1
  Pb  Pb5  4  0.0000  0.2609  0.2500  1
]