data_[Pr12P4N2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0200]
_cell_length_b [12.1398]
_cell_length_c [7.4108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6P2NCl3]
_chemical_formula_sum '[Pr12 P4 N2 Cl6]'
_cell_volume [599.4246]
_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  8  0.2208  0.1531  0.2025  1.0
  Pr  Pr1  4  0.2387  0.0000  0.7959  1.0
  P  P2  4  0.0000  0.3336  0.0000  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1720  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]