data_[Th12Te2Os6C4]
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 [C2/m]
_cell_length_a [17.0111]
_cell_length_b [4.1110]
_cell_length_c [8.1257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6TeOs3C2]
_chemical_formula_sum '[Th12 Te2 Os6 C4]'
_cell_volume [567.4986]
_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  0.0378  0.0000  0.2887  1
  Th  Th1  4  0.1680  0.5000  0.6089  1
  Th  Th2  4  0.1936  0.5000  0.1317  1
  Te  Te3  2  0.0000  0.5000  0.0000  1
  Os  Os4  4  0.1443  0.0000  0.8799  1
  Os  Os5  2  0.0000  0.5000  0.5000  1
  C  C6  4  0.1842  0.0000  0.3619  1
]