data_[Th24Bi8N8]
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 [Cmce]
_cell_length_a [10.6243]
_cell_length_b [14.9654]
_cell_length_c [6.6041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Th3BiN]
_chemical_formula_sum '[Th24 Bi8 N8]'
_cell_volume [1050.0319]
_cell_formula_units_Z [8]
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  0.0000  0.0332  0.7271  1
  Th  Th1  8  0.0000  0.2398  0.0200  1
  Th  Th2  8  0.2500  0.1088  0.2500  1
  Bi  Bi3  8  0.2500  0.1655  0.7500  1
  N  N4  8  0.0000  0.1163  0.3510  1
]