data_[Pr4C1N1F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.3583]
_cell_length_b [3.7006]
_cell_length_c [6.6771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4CNF2]
_chemical_formula_sum '[Pr4 C1 N1 F2]'
_cell_volume [148.9506]
_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  2  0.2367  0.5000  0.2170  1.0
  Pr  Pr1  2  0.2572  0.0000  0.7805  1.0
  C  C2  1  0.5000  0.5000  0.0000  1.0
  N  N3  1  0.0000  0.0000  0.0000  1.0
  F  F4  1  0.0000  0.5000  0.5000  1.0
  F  F5  1  0.5000  0.0000  0.5000  1.0
]