# generated using pymatgen
data_BO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18941591
_cell_length_b   6.62060037
_cell_length_c   6.76135480
_cell_angle_alpha   121.11864026
_cell_angle_beta   92.12460287
_cell_angle_gamma   102.83636553
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BO3
_chemical_formula_sum   'B4 O12'
_cell_volume   227.40550163
_cell_formula_units_Z   4
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  0.74965800  0.34784300  0.07747300  1.0
  B  B1  1  0.25034200  0.65215700  0.92252700  1.0
  B  B2  1  0.24187800  0.29814600  0.25186500  1.0
  B  B3  1  0.75812200  0.70185400  0.74813500  1.0
  O  O4  1  0.25162700  0.41004600  0.79269400  1.0
  O  O5  1  0.74837300  0.58995400  0.20730600  1.0
  O  O6  1  0.24328400  0.54066700  0.38497800  1.0
  O  O7  1  0.75671600  0.45933300  0.61502200  1.0
  O  O8  1  0.24505100  0.75417900  0.15880500  1.0
  O  O9  1  0.75494900  0.24582100  0.84119500  1.0
  O  O10  1  0.24711600  0.19182500  0.01655400  1.0
  O  O11  1  0.75288400  0.80817500  0.98344600  1.0
  O  O12  1  0.75355700  0.21975200  0.18370100  1.0
  O  O13  1  0.24644300  0.78024800  0.81629900  1.0
  O  O14  1  0.24544600  0.17163500  0.36158500  1.0
  O  O15  1  0.75455400  0.82836500  0.63841500  1.0