data_[Pr8As4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.2407]
_cell_length_b [5.6274]
_cell_length_c [10.2301]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr2AsN4]
_chemical_formula_sum '[Pr8 As4 N16]'
_cell_volume [416.8390]
_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
[
  Pr  Pr0  4  0.0025  0.7500  0.8056  1
  Pr  Pr1  4  0.1419  0.2500  0.5641  1
  As  As2  4  0.2122  0.2500  0.9255  1
  N  N3  8  0.1863  0.0081  0.3495  1
  N  N4  4  0.0344  0.7500  0.0703  1
  N  N5  4  0.1822  0.7500  0.5880  1
]