data_[Th12Os4Se6N2]
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
  Se  2.5500  1.1500  1.0133
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9850]
_cell_length_b [12.0545]
_cell_length_c [7.5983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Os2Se3N]
_chemical_formula_sum '[Th12 Os4 Se6 N2]'
_cell_volume [609.2672]
_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  8  0.2303  0.1598  0.2107  1
  Th  Th1  4  0.2485  0.0000  0.7837  1
  Os  Os2  4  0.0000  0.3341  0.0000  1
  Se  Se3  4  0.0000  0.1719  0.5000  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
  N  N5  2  0.0000  0.0000  0.0000  1
]