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 [Pm]
_cell_length_a [6.4091]
_cell_length_b [3.3900]
_cell_length_c [6.5725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LaVN3]
_chemical_formula_sum '[La2 V2 N6]'
_cell_volume [142.5157]
_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  0.3912  0.5000  0.5842  1
  La  La1  1  0.8646  0.5000  0.2839  1
  V  V2  1  0.4127  0.0000  0.0900  1
  V  V3  1  0.8951  0.0000  0.7261  1
  N  N4  1  0.1030  0.0000  0.5621  1
  N  N5  1  0.1299  0.0000  0.1415  1
  N  N6  1  0.4485  0.5000  0.9676  1
  N  N7  1  0.5543  0.0000  0.3269  1
  N  N8  1  0.7665  0.5000  0.6514  1
  N  N9  1  0.9861  0.0000  0.9889  1
]