data_[Sm4Nb4N10]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3380]
_cell_length_b [4.2178]
_cell_length_c [5.8611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8044]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Nb2N5]
_chemical_formula_sum '[Sm4 Nb4 N10]'
_cell_volume [256.4387]
_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  0.1093  0.5000  0.3165  1.0
  Nb  Nb1  4  0.1533  0.0000  0.8768  1.0
  N  N2  4  0.1469  0.5000  0.9121  1.0
  N  N3  4  0.1584  0.0000  0.5530  1.0
  N  N4  2  0.0000  0.0000  0.0000  1.0
]