data_[Th12Sn4Bi2Sb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7566]
_cell_length_b [4.5311]
_cell_length_c [9.0598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Sn2BiSb3]
_chemical_formula_sum '[Th12 Sn4 Bi2 Sb6]'
_cell_volume [789.8783]
_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
[
  Th  Th0  4  0.0016  0.0000  0.2578  1
  Th  Th1  4  0.1677  0.5000  0.5816  1
  Th  Th2  4  0.1701  0.5000  0.0873  1
  Sn  Sn3  4  0.1664  0.0000  0.3323  1
  Bi  Bi4  2  0.0000  0.5000  0.0000  1
  Sb  Sb5  4  0.1644  0.0000  0.8328  1
  Sb  Sb6  2  0.0000  0.5000  0.5000  1
]