data_[Th8U4Pt4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  U  1.3800  1.7500  0.9913
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.4318]
_cell_length_b [14.3168]
_cell_length_c [10.5577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Th2UPtN5]
_chemical_formula_sum '[Th8 U4 Pt4 N20]'
_cell_volume [518.7277]
_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  0.0000  0.1093  0.6825  1
  Th  Th1  4  0.0000  0.1275  0.3067  1
  U  U2  4  0.0000  0.1971  0.0031  1
  Pt  Pt3  4  0.0000  0.4770  0.4694  1
  N  N4  4  0.0000  0.0483  0.0801  1
  N  N5  4  0.0000  0.2872  0.6417  1
  N  N6  4  0.0000  0.2936  0.3628  1
  N  N7  4  0.0000  0.3451  0.0013  1
  N  N8  4  0.0000  0.4974  0.7765  1
]