data_[Sn2Sb6Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [11.4290]
_cell_length_b [4.4691]
_cell_length_c [10.5066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnSb3Pb4]
_chemical_formula_sum '[Sn2 Sb6 Pb8]'
_cell_volume [508.4345]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.0000  1
  Sb  Sb1  4  0.1784  0.5000  0.1741  1
  Sb  Sb2  2  0.0000  0.5000  0.5000  1
  Pb  Pb3  4  0.1188  0.5000  0.8240  1
  Pb  Pb4  4  0.1546  0.0000  0.3932  1
]