data_[Ba4La4V4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [13.7564]
_cell_length_b [3.9578]
_cell_length_c [7.8398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLaVN3]
_chemical_formula_sum '[Ba4 La4 V4 N12]'
_cell_volume [409.7367]
_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
[
  Ba  Ba0  4  0.1421  0.5000  0.0715  1
  La  La1  4  0.1533  0.5000  0.5781  1
  V  V2  4  0.0008  0.0000  0.3045  1
  N  N3  4  0.0025  0.5000  0.3160  1
  N  N4  4  0.1408  0.0000  0.8024  1
  N  N5  4  0.1464  0.0000  0.3387  1
]