data_[Nd10Ta2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1392]
_cell_length_b [10.6218]
_cell_length_c [6.1103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4932]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd5TaN6]
_chemical_formula_sum '[Nd10 Ta2 N12]'
_cell_volume [375.6097]
_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  4  0.0000  0.1647  0.5000  1.0
  Nd  Nd1  4  0.0000  0.3330  0.0000  1.0
  Nd  Nd2  2  0.0000  0.5000  0.5000  1.0
  Ta  Ta3  2  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.2222  0.1476  0.2229  1.0
  N  N5  4  0.2214  0.0000  0.7688  1.0
]