data_[Sm4Nb2Re2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Nb  1.6000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.5701]
_cell_length_b [5.7103]
_cell_length_c [9.6696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2NbReN6]
_chemical_formula_sum '[Sm4 Nb2 Re2 N12]'
_cell_volume [252.1832]
_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  4  0.2414  0.0525  0.2500  1.0
  Nb  Nb1  2  0.5000  0.0000  0.0000  1.0
  Re  Re2  2  0.0000  0.0000  0.5000  1.0
  N  N3  4  0.1574  0.2114  0.9565  1.0
  N  N4  4  0.2434  0.7003  0.9575  1.0
  N  N5  4  0.3253  0.0175  0.7435  1.0
]