data_[Pr2Mg4Nb2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.3558]
_cell_length_b [6.0678]
_cell_length_c [5.4562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [PrMg2NbN4]
_chemical_formula_sum '[Pr2 Mg4 Nb2 N8]'
_cell_volume [243.5272]
_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  0.0000  0.8310  0.4772  1.0
  Mg  Mg1  4  0.2491  0.6661  0.9914  1.0
  Nb  Nb2  2  0.0000  0.1907  0.9967  1.0
  N  N3  4  0.2198  0.3390  0.8757  1.0
  N  N4  2  0.0000  0.2080  0.3559  1.0
  N  N5  2  0.0000  0.8646  0.9360  1.0
]