# generated using pymatgen
data_BaVSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03568979
_cell_length_b   7.03568979
_cell_length_c   5.90219400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.36626531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVSe3
_chemical_formula_sum   'Ba2 V2 Se6'
_cell_volume   254.62179802
_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  0.66388400  0.33611600  0.75495100  1.0
  Ba  Ba1  1  0.33611600  0.66388400  0.25495100  1.0
  V  V2  1  0.97416700  0.02583300  0.01323700  1.0
  V  V3  1  0.02583300  0.97416700  0.51323700  1.0
  Se  Se4  1  0.32996700  0.16344500  0.24308100  1.0
  Se  Se5  1  0.83655500  0.67003300  0.24308100  1.0
  Se  Se6  1  0.82928300  0.17071700  0.27461800  1.0
  Se  Se7  1  0.16344500  0.32996700  0.74308100  1.0
  Se  Se8  1  0.67003300  0.83655500  0.74308100  1.0
  Se  Se9  1  0.17071700  0.82928300  0.77461800  1.0