data_[Pr3N1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0268]
_cell_length_b [5.9832]
_cell_length_c [7.1526]
_cell_angle_alpha [65.7965]
_cell_angle_beta [75.5494]
_cell_angle_gamma [89.6681]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pr3NF6]
_chemical_formula_sum '[Pr3 N1 F6]'
_cell_volume [151.2958]
_cell_formula_units_Z [1]
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  1  0.3390  0.3453  0.3085  1.0
  Pr  Pr1  1  0.6797  0.6441  0.6925  1.0
  Pr  Pr2  1  0.9588  0.0373  0.0004  1.0
  N  N3  1  0.4451  0.2761  0.0008  1.0
  F  F4  1  0.1685  0.8829  0.7124  1.0
  F  F5  1  0.2975  0.6471  0.4886  1.0
  F  F6  1  0.5042  0.7603  0.9944  1.0
  F  F7  1  0.8071  0.0700  0.3550  1.0
  F  F8  1  0.8738  0.5916  0.2521  1.0
  F  F9  1  0.8742  0.2714  0.6434  1.0
]