data_[Pr4P1N1Cl2]
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 [P2/m]
_cell_length_a [6.9396]
_cell_length_b [3.9352]
_cell_length_c [7.4403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4PNCl2]
_chemical_formula_sum '[Pr4 P1 N1 Cl2]'
_cell_volume [193.2229]
_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  0.2088  0.5000  0.1961  1.0
  Pr  Pr1  2  0.2311  0.0000  0.7984  1.0
  P  P2  1  0.5000  0.5000  0.0000  1.0
  N  N3  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  1  0.0000  0.5000  0.5000  1.0
  Cl  Cl5  1  0.5000  0.0000  0.5000  1.0
]