data_[Nd2Tm2Ti2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  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 [7.1763]
_cell_length_b [3.5213]
_cell_length_c [7.7245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdTmTiN3]
_chemical_formula_sum '[Nd2 Tm2 Ti2 N6]'
_cell_volume [192.8542]
_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
[
  Nd  Nd0  2  0.1737  0.7500  0.1770  1
  Tm  Tm1  2  0.3647  0.2500  0.8493  1
  Ti  Ti2  2  0.1063  0.7500  0.5973  1
  N  N3  2  0.1184  0.7500  0.8498  1
  N  N4  2  0.1751  0.2500  0.5131  1
  N  N5  2  0.4110  0.2500  0.1411  1
]