data_[Sm2Ta2Nb2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ta  1.5000  1.4500  0.8200
  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 [5.6512]
_cell_length_b [3.1977]
_cell_length_c [8.4280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmTaNbN3]
_chemical_formula_sum '[Sm2 Ta2 Nb2 N6]'
_cell_volume [148.4880]
_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
[
  Sm  Sm0  2  0.3566  0.2500  0.3084  1.0
  Ta  Ta1  2  0.2328  0.7500  0.9499  1.0
  Nb  Nb2  2  0.1194  0.2500  0.6369  1.0
  N  N3  2  0.0344  0.7500  0.1433  1.0
  N  N4  2  0.2572  0.7500  0.5081  1.0
  N  N5  2  0.4397  0.2500  0.8550  1.0
]