data_[Th24Te12Os3C9]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0544]
_cell_length_b [8.0544]
_cell_length_c [22.2721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th8Te4OsC3]
_chemical_formula_sum '[Th24 Te12 Os3 C9]'
_cell_volume [1251.2857]
_cell_formula_units_Z [3]
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  18  0.0147  0.5073  0.2698  1
  Th  Th1  6  0.0000  0.0000  0.2709  1
  Te  Te2  9  0.0000  0.5000  0.5000  1
  Te  Te3  3  -0.0000  -0.0000  0.5000  1
  Os  Os4  3  -0.0000  -0.0000  0.0000  1
  C  C5  9  0.0000  0.5000  0.0000  1
]