data_[La6Pt6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [14.6092]
_cell_length_b [4.0182]
_cell_length_c [7.9729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LaPtPb]
_chemical_formula_sum '[La6 Pt6 Pb6]'
_cell_volume [468.0351]
_cell_formula_units_Z [6]
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
[
  La  La0  4  0.0485  0.0000  0.7751  1.0
  La  La1  2  0.2500  0.0000  0.1605  1.0
  Pt  Pt2  4  0.0934  0.5000  0.0690  1.0
  Pt  Pt3  2  0.2500  0.0000  0.5607  1.0
  Pb  Pb4  4  0.1209  0.5000  0.4389  1.0
  Pb  Pb5  2  0.2500  0.5000  0.8154  1.0
]