# generated using pymatgen
data_Ba3VN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.47228100
_cell_length_b   8.47279362
_cell_length_c   5.52869500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000706
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3VN3
_chemical_formula_sum   'Ba6 V2 N6'
_cell_volume   343.70053852
_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
  Ba  Ba0  1  0.92222600  0.63652000  0.25000000  1.0
  Ba  Ba1  1  0.71428900  0.07776000  0.25000000  1.0
  Ba  Ba2  1  0.36347500  0.28570600  0.25000000  1.0
  Ba  Ba3  1  0.07777400  0.36348000  0.75000000  1.0
  Ba  Ba4  1  0.28571100  0.92224000  0.75000000  1.0
  Ba  Ba5  1  0.63652500  0.71429400  0.75000000  1.0
  V  V6  1  0.66667100  0.33333600  0.75000000  1.0
  V  V7  1  0.33332900  0.66666400  0.25000000  1.0
  N  N8  1  0.86680700  0.55638200  0.75000000  1.0
  N  N9  1  0.68957700  0.13319000  0.75000000  1.0
  N  N10  1  0.44360400  0.31042800  0.75000000  1.0
  N  N11  1  0.13319300  0.44361800  0.25000000  1.0
  N  N12  1  0.31042300  0.86681000  0.25000000  1.0
  N  N13  1  0.55639600  0.68957200  0.25000000  1.0