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 [P1]
_cell_length_a [3.5494]
_cell_length_b [5.9843]
_cell_length_c [6.2959]
_cell_angle_alpha [108.5593]
_cell_angle_beta [96.6376]
_cell_angle_gamma [90.8356]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SmVN3]
_chemical_formula_sum '[Sm2 V2 N6]'
_cell_volume [125.7364]
_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  1  0.5489  0.7984  0.2657  1.0
  Sm  Sm1  1  0.6262  0.3412  0.7245  1.0
  V  V2  1  0.0757  0.2917  0.2508  1.0
  V  V3  1  0.1473  0.8178  0.7516  1.0
  N  N4  1  0.0610  0.4727  0.0810  1.0
  N  N5  1  0.1046  0.5169  0.5683  1.0
  N  N6  1  0.1127  0.0012  0.5835  1.0
  N  N7  1  0.5564  0.2191  0.3116  1.0
  N  N8  1  0.6756  0.8225  0.8904  1.0
  N  N9  1  0.9767  0.9434  0.0542  1.0
]