data_[La8V4N8]
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 [C2/m]
_cell_length_a [11.2892]
_cell_length_b [5.4032]
_cell_length_c [6.7555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2VN2]
_chemical_formula_sum '[La8 V4 N8]'
_cell_volume [356.2287]
_cell_formula_units_Z [4]
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  4  0.0381  0.0000  0.2886  1.0
  La  La1  4  0.1807  0.5000  0.1250  1.0
  V  V2  4  0.1349  0.5000  0.6266  1.0
  N  N3  4  0.0054  0.5000  0.2928  1.0
  N  N4  4  0.1871  0.0000  0.1116  1.0
]