data_[Th12Cd4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cd  1.6900  1.5500  1.0900
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9152]
_cell_length_b [5.6054]
_cell_length_c [9.2088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3CdOs]
_chemical_formula_sum '[Th12 Cd4 Os4]'
_cell_volume [575.6399]
_cell_formula_units_Z [4]
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  0.1336  0.5000  0.9324  1
  Th  Th1  4  0.1336  0.0000  0.2653  1
  Th  Th2  4  0.1413  0.0000  0.6456  1
  Cd  Cd3  4  0.0936  0.5000  0.4340  1
  Os  Os4  4  0.1058  0.0000  0.9379  1
]