data_[Sm2V2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9128]
_cell_length_b [5.8961]
_cell_length_c [6.3607]
_cell_angle_alpha [111.5918]
_cell_angle_beta [101.0569]
_cell_angle_gamma [90.5729]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SmVN3]
_chemical_formula_sum '[Sm2 V2 N6]'
_cell_volume [133.3893]
_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  0.1559  0.3070  0.7380  1
  V  V1  2  0.3035  0.1272  0.1564  1
  N  N2  2  0.2011  0.9369  0.8349  1
  N  N3  2  0.3058  0.4292  0.1697  1
  N  N4  2  0.3632  0.0012  0.4191  1
]