data_[Pr4Ni2P2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3690]
_cell_length_b [3.8516]
_cell_length_c [8.0997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2NiPN]
_chemical_formula_sum '[Pr4 Ni2 P2 N2]'
_cell_volume [189.3333]
_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  2  0.2047  0.2500  0.3906  1.0
  Pr  Pr1  2  0.2226  0.2500  0.9642  1.0
  Ni  Ni2  2  0.4775  0.7500  0.2510  1.0
  P  P3  2  0.3184  0.7500  0.6971  1.0
  N  N4  2  0.1660  0.7500  0.1694  1.0
]