# generated using pymatgen
data_BaVO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77793000
_cell_length_b   5.77792986
_cell_length_c   11.74099700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVO3
_chemical_formula_sum   'Ba5 V5 O15'
_cell_volume   339.45338740
_cell_formula_units_Z   5
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  0.66666700  0.33333400  0.59440700  1.0
  Ba  Ba1  1  0.33333400  0.66666700  0.40559300  1.0
  Ba  Ba2  1  0.66666700  0.33333400  0.21001500  1.0
  Ba  Ba3  1  0.33333400  0.66666700  0.78998500  1.0
  Ba  Ba4  1  0.00000000  0.00000000  0.00000000  1.0
  V  V5  1  0.00000000  0.00000000  0.50000000  1.0
  V  V6  1  0.66666700  0.33333400  0.90833500  1.0
  V  V7  1  0.33333400  0.66666700  0.09166500  1.0
  V  V8  1  0.00000000  0.00000000  0.27655300  1.0
  V  V9  1  0.00000000  0.00000000  0.72344600  1.0
  O  O10  1  0.85001200  0.14998900  0.39947100  1.0
  O  O11  1  0.85001100  0.70002300  0.39947100  1.0
  O  O12  1  0.29997600  0.14998900  0.39947100  1.0
  O  O13  1  0.70002400  0.85001200  0.60052800  1.0
  O  O14  1  0.14998900  0.29997800  0.60052800  1.0
  O  O15  1  0.14998800  0.85001200  0.60052800  1.0
  O  O16  1  0.83358600  0.16641300  0.80022300  1.0
  O  O17  1  0.83358600  0.66717300  0.80022300  1.0
  O  O18  1  0.33282600  0.16641300  0.80022300  1.0
  O  O19  1  0.66717300  0.83358600  0.19977700  1.0
  O  O20  1  0.50000000  0.00000000  0.00000000  1.0
  O  O21  1  0.99999900  0.50000000  0.00000000  1.0
  O  O22  1  0.16641400  0.33282700  0.19977700  1.0
  O  O23  1  0.16641300  0.83358600  0.19977700  1.0
  O  O24  1  0.50000100  0.50000000  0.00000000  1.0