data_[La2V2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6296]
_cell_length_b [6.0249]
_cell_length_c [6.3288]
_cell_angle_alpha [106.9625]
_cell_angle_beta [96.4120]
_cell_angle_gamma [90.8380]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaVN3]
_chemical_formula_sum '[La2 V2 N6]'
_cell_volume [131.3865]
_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
[
  La  La0  1  0.5514  0.7892  0.2707  1.0
  La  La1  1  0.6255  0.3326  0.7280  1.0
  V  V2  1  0.0766  0.2882  0.2522  1.0
  V  V3  1  0.1480  0.8177  0.7525  1.0
  N  N4  1  0.0656  0.4679  0.0809  1.0
  N  N5  1  0.1067  0.5238  0.5647  1.0
  N  N6  1  0.1105  0.0018  0.5846  1.0
  N  N7  1  0.5533  0.2218  0.3109  1.0
  N  N8  1  0.6774  0.8348  0.8869  1.0
  N  N9  1  0.9699  0.9469  0.0501  1.0
]