data_[Pr12Sn6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4088]
_cell_length_b [7.4213]
_cell_length_c [13.7207]
_cell_angle_alpha [78.7167]
_cell_angle_beta [77.3062]
_cell_angle_gamma [89.8300]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pr2SnN]
_chemical_formula_sum '[Pr12 Sn6 N6]'
_cell_volume [623.7855]
_cell_formula_units_Z [6]
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
[
  Pr  Pr0  2  0.2106  0.7195  0.5816  1
  Pr  Pr1  2  0.2149  0.2283  0.5661  1
  Pr  Pr2  2  0.2498  0.0716  0.0069  1
  Pr  Pr3  2  0.3130  0.6058  0.9339  1
  Pr  Pr4  2  0.3213  0.0517  0.3539  1
  Pr  Pr5  2  0.3227  0.5547  0.3507  1
  Sn  Sn6  2  0.1325  0.3457  0.7917  1
  Sn  Sn7  2  0.1545  0.9413  0.7834  1
  Sn  Sn8  2  0.1684  0.3607  0.1777  1
  N  N9  2  0.4256  0.7946  0.0208  1
  N  N10  1  0.0000  0.0000  0.5000  1
  N  N11  1  0.0000  0.5000  0.5000  1
  N  N12  1  0.5000  0.0000  0.5000  1
  N  N13  1  0.5000  0.5000  0.5000  1
]