data_[Pr10Th4N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2161]
_cell_length_b [3.5861]
_cell_length_c [12.2972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr5Th2N5]
_chemical_formula_sum '[Pr10 Th4 N10]'
_cell_volume [510.3730]
_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
[
  Pr  Pr0  4  0.1535  0.5000  0.0636  1
  Pr  Pr1  4  0.2289  0.5000  0.3746  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Th  Th3  4  0.0379  0.0000  0.7886  1
  N  N4  4  0.1173  0.0000  0.4232  1
  N  N5  4  0.1633  0.5000  0.8705  1
  N  N6  2  0.0000  0.0000  0.0000  1
]