data_[Th12Os6Rh4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Os  2.2000  1.3000  0.6730
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0405]
_cell_length_b [4.1288]
_cell_length_c [8.3652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Os3Rh2Se]
_chemical_formula_sum '[Th12 Os6 Rh4 Se2]'
_cell_volume [606.9133]
_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  0.0014  0.0000  0.7302  1
  Th  Th1  4  0.1665  0.5000  0.5886  1
  Th  Th2  4  0.1748  0.5000  0.0822  1
  Os  Os3  4  0.1616  0.0000  0.8331  1
  Os  Os4  2  0.0000  0.5000  0.5000  1
  Rh  Rh5  4  0.1675  0.0000  0.3337  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]