# generated using pymatgen
data_BaV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71436949
_cell_length_b   5.71436949
_cell_length_c   7.94999000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999412
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV4O8
_chemical_formula_sum   'Ba1 V4 O8'
_cell_volume   224.81944782
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  V  V1  1  0.33333300  0.66666700  0.76518700  1.0
  V  V2  1  0.66666700  0.33333300  0.76518700  1.0
  V  V3  1  0.33333300  0.66666700  0.23481300  1.0
  V  V4  1  0.66666700  0.33333300  0.23481300  1.0
  O  O5  1  0.36894100  0.36894100  0.71436200  1.0
  O  O6  1  0.63105900  0.00000000  0.71436200  1.0
  O  O7  1  0.00000000  0.63105900  0.71436200  1.0
  O  O8  1  0.63105900  0.63105900  0.28563800  1.0
  O  O9  1  0.00000000  0.36894100  0.28563800  1.0
  O  O10  1  0.36894100  0.00000000  0.28563800  1.0
  O  O11  1  0.33333300  0.66666700  0.00000000  1.0
  O  O12  1  0.66666700  0.33333300  0.00000000  1.0