data_[Th12Si6Sb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7975]
_cell_length_b [4.2832]
_cell_length_c [8.6481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9858]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Si3SbSe2]
_chemical_formula_sum '[Th12 Si6 Sb2 Se4]'
_cell_volume [675.6453]
_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  0.0025  0.0000  0.7326  1
  Th  Th1  4  0.1619  0.5000  0.5933  1
  Th  Th2  4  0.1735  0.5000  0.0730  1
  Si  Si3  4  0.1655  0.0000  0.8308  1
  Si  Si4  2  0.0000  0.5000  0.5000  1
  Sb  Sb5  2  0.0000  0.5000  0.0000  1
  Se  Se6  4  0.1684  0.0000  0.3347  1
]