data_[Pr2Mn2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6153]
_cell_length_b [5.4374]
_cell_length_c [5.8365]
_cell_angle_alpha [112.1038]
_cell_angle_beta [106.1174]
_cell_angle_gamma [93.7921]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PrMnN3]
_chemical_formula_sum '[Pr2 Mn2 N6]'
_cell_volume [127.9542]
_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  0.1432  0.3523  0.7167  1.0
  Mn  Mn1  2  0.3678  0.1062  0.1430  1.0
  N  N2  2  0.2204  0.8698  0.7918  1.0
  N  N3  2  0.3038  0.4237  0.1749  1.0
  N  N4  2  0.3803  0.0116  0.4144  1.0
]