data_[Th4Rh4N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1242]
_cell_length_b [3.9252]
_cell_length_c [8.0316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ThRhN3]
_chemical_formula_sum '[Th4 Rh4 N12]'
_cell_volume [338.3949]
_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  0.1395  0.0000  0.8297  1
  Rh  Rh1  4  0.0943  0.5000  0.1994  1
  N  N2  4  0.1155  0.5000  0.4328  1
  N  N3  4  0.1425  0.5000  0.5839  1
  N  N4  4  0.1544  0.5000  0.9809  1
]