data_[Th12Pt4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pt  2.2800  1.3500  0.8050
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4375]
_cell_length_b [7.2478]
_cell_length_c [11.9231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Th6Pt2N]
_chemical_formula_sum '[Th12 Pt4 N2]'
_cell_volume [478.1520]
_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  0.1086  0.6777  0.9445  1
  Th  Th1  4  0.2874  0.1919  0.9404  1
  Th  Th2  4  0.4163  0.5375  0.7644  1
  Pt  Pt3  4  0.1617  0.6135  0.2499  1
  N  N4  2  0.5000  0.0000  0.5000  1
]