data_[Th8Bi6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0862]
_cell_length_b [4.2495]
_cell_length_c [9.4914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th4Bi3N2]
_chemical_formula_sum '[Th8 Bi6 N4]'
_cell_volume [492.6348]
_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  0.1245  0.0000  0.4137  1
  Th  Th1  4  0.1924  0.5000  0.1303  1
  Bi  Bi2  4  0.1053  0.5000  0.7088  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.1947  0.5000  0.3730  1
]