# generated using pymatgen
data_BaVSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02202300
_cell_length_b   7.02663216
_cell_length_c   7.02663200
_cell_angle_alpha   60.00000075
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVSe3
_chemical_formula_sum   'Ba2 V2 Se6'
_cell_volume   257.49421308
_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  0.75000000  0.33333400  0.33333300  1.0
  Ba  Ba1  1  0.25000000  0.66666600  0.66666700  1.0
  V  V2  1  0.50000000  0.00000000  0.00000000  1.0
  V  V3  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se4  1  0.75000000  0.33313800  0.83343100  1.0
  Se  Se5  1  0.25000000  0.16656900  0.16656900  1.0
  Se  Se6  1  0.75000000  0.83343100  0.83343100  1.0
  Se  Se7  1  0.25000000  0.66686200  0.16656900  1.0
  Se  Se8  1  0.25000000  0.16656900  0.66686200  1.0
  Se  Se9  1  0.75000000  0.83343100  0.33313800  1.0