data_[Pm2Nd2Ti2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Ti  1.5400  1.4000  0.8517
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4291]
_cell_length_b [3.6165]
_cell_length_c [7.8043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PmNdTiN3]
_chemical_formula_sum '[Pm2 Nd2 Ti2 N6]'
_cell_volume [208.4655]
_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  0.1583  0.7500  0.1543  1
  Nd  Nd1  2  0.3779  0.2500  0.8281  1
  Ti  Ti2  2  0.0964  0.7500  0.5984  1
  N  N3  2  0.1010  0.7500  0.8468  1
  N  N4  2  0.1604  0.2500  0.5222  1
  N  N5  2  0.3851  0.2500  0.1317  1
]