data_[Pr12P4N2]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5871]
_cell_length_b [7.5915]
_cell_length_c [11.4213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6P2N]
_chemical_formula_sum '[Pr12 P4 N2]'
_cell_volume [481.7897]
_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  4  0.1136  0.6758  0.9473  1
  Pr  Pr1  4  0.2954  0.2071  0.9388  1
  Pr  Pr2  4  0.4036  0.5346  0.7563  1
  P  P3  4  0.1806  0.6197  0.2419  1
  N  N4  2  0.5000  0.0000  0.5000  1
]