data_[Sb2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0512]
_cell_length_b [4.2353]
_cell_length_c [5.2598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbPb3]
_chemical_formula_sum '[Sb2 Pb6]'
_cell_volume [250.4348]
_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
[
  Sb  Sb0  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  4  0.2323  0.5000  0.2322  1.0
  Pb  Pb2  2  0.0000  0.5000  0.5000  1.0
]