# generated using pymatgen
data_BO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.61646271
_cell_length_b   6.61646271
_cell_length_c   9.03387100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000714
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BO3
_chemical_formula_sum   'B6 O18'
_cell_volume   342.49656808
_cell_formula_units_Z   6
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
  B  B0  1  0.54338800  0.35806400  0.38453300  1.0
  B  B1  1  0.64193600  0.18532500  0.05119900  1.0
  B  B2  1  0.81467500  0.45661200  0.71786600  1.0
  B  B3  1  0.21061600  0.69374900  0.37266200  1.0
  B  B4  1  0.30625100  0.51686700  0.03932800  1.0
  B  B5  1  0.48313300  0.78938400  0.70599500  1.0
  O  O6  1  0.30331000  0.25526100  0.37858900  1.0
  O  O7  1  0.74473900  0.04804900  0.04525600  1.0
  O  O8  1  0.95195100  0.69669000  0.71192300  1.0
  O  O9  1  0.67245000  0.59826900  0.38465600  1.0
  O  O10  1  0.40173100  0.07418100  0.05132200  1.0
  O  O11  1  0.92581900  0.32755000  0.71798900  1.0
  O  O12  1  0.64871200  0.22561600  0.37730700  1.0
  O  O13  1  0.77438400  0.42309500  0.04397400  1.0
  O  O14  1  0.57690500  0.35128800  0.71064000  1.0
  O  O15  1  0.44813500  0.79785700  0.37598200  1.0
  O  O16  1  0.20214300  0.65027800  0.04264800  1.0
  O  O17  1  0.34972200  0.55186500  0.70931500  1.0
  O  O18  1  0.10220600  0.82597500  0.37147100  1.0
  O  O19  1  0.17402500  0.27623100  0.03813800  1.0
  O  O20  1  0.72376900  0.89779400  0.70480500  1.0
  O  O21  1  0.07146300  0.45487100  0.37553700  1.0
  O  O22  1  0.54512900  0.61659200  0.04220300  1.0
  O  O23  1  0.38340800  0.92853700  0.70887000  1.0