data_[Th12Te4Os6S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
  Os  2.2000  1.3000  0.6730
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2175]
_cell_length_b [4.1663]
_cell_length_c [8.9339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Te2Os3S]
_chemical_formula_sum '[Th12 Te4 Os6 S2]'
_cell_volume [677.8465]
_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  0.0108  0.0000  0.7341  1
  Th  Th1  4  0.1537  0.5000  0.6152  1
  Th  Th2  4  0.1709  0.5000  0.0555  1
  Te  Te3  4  0.1678  0.0000  0.3381  1
  Os  Os4  4  0.1668  0.0000  0.8399  1
  Os  Os5  2  0.0000  0.5000  0.5000  1
  S  S6  2  0.0000  0.5000  0.0000  1
]