data_[Pr2Y6Th4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  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 [15.5714]
_cell_length_b [3.5861]
_cell_length_c [7.1587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrY3Th2N6]
_chemical_formula_sum '[Pr2 Y6 Th4 N12]'
_cell_volume [389.2885]
_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  2  0.0000  0.5000  0.0000  1
  Y  Y1  4  0.1653  0.0000  0.8344  1
  Y  Y2  2  0.0000  0.5000  0.5000  1
  Th  Th3  4  0.1654  0.0000  0.3302  1
  N  N4  4  0.0014  0.0000  0.2622  1
  N  N5  4  0.1666  0.5000  0.5836  1
  N  N6  4  0.1708  0.5000  0.0860  1
]