data_[Th12Rh4C6Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Rh  2.2800  1.3500  0.7450
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6977]
_cell_length_b [3.8197]
_cell_length_c [8.1741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th6Rh2C3Se]
_chemical_formula_sum '[Th12 Rh4 C6 Se2]'
_cell_volume [523.4735]
_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  0.7220  1
  Th  Th1  4  0.1532  0.5000  0.6139  1
  Th  Th2  4  0.1796  0.5000  0.0846  1
  Rh  Rh3  4  0.1848  0.0000  0.3680  1
  C  C4  4  0.1583  0.0000  0.8479  1
  Se  Se5  2  0.0000  0.5000  0.0000  1
  C  C6  2  0.0000  0.5000  0.5000  1
]