data_[Pm2Ti2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7979]
_cell_length_b [3.3245]
_cell_length_c [7.6676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PmTiNbN3]
_chemical_formula_sum '[Pm2 Ti2 Nb2 N6]'
_cell_volume [167.6542]
_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
[
  Pm  Pm0  2  0.1910  0.7500  0.1994  1
  Ti  Ti1  2  0.1270  0.7500  0.6080  1
  Nb  Nb2  2  0.3675  0.2500  0.8788  1
  N  N3  2  0.1233  0.7500  0.8649  1
  N  N4  2  0.1923  0.2500  0.5007  1
  N  N5  2  0.4432  0.2500  0.1713  1
]