data_[Pr8I10N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9938]
_cell_length_b [8.8448]
_cell_length_c [20.1223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr4I5N2]
_chemical_formula_sum '[Pr8 I10 N4]'
_cell_volume [710.8111]
_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  0.0000  0.1863  0.5000  1
  Pr  Pr1  4  0.0000  0.5000  0.1467  1
  I  I2  8  0.0000  0.2812  0.3398  1
  I  I3  2  0.0000  0.0000  0.0000  1
  N  N4  4  0.0000  0.5000  0.0338  1
]