# generated using pymatgen
data_CaB2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27104500
_cell_length_b   6.97188780
_cell_length_c   8.21110658
_cell_angle_alpha   102.49371883
_cell_angle_beta   89.13978854
_cell_angle_gamma   113.27447548
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaB2O9
_chemical_formula_sum   'Ca2 B4 O18'
_cell_volume   320.97887301
_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
  Ca  Ca0  1  0.20516300  0.11248900  0.81224800  1.0
  Ca  Ca1  1  0.79483700  0.88751100  0.18775200  1.0
  B  B2  1  0.59181700  0.37200400  0.18092200  1.0
  B  B3  1  0.40818300  0.62799600  0.81907800  1.0
  B  B4  1  0.35717600  0.02013800  0.23920000  1.0
  B  B5  1  0.64282400  0.97986200  0.76080000  1.0
  O  O6  1  0.81409400  0.92003900  0.66837200  1.0
  O  O7  1  0.18590600  0.07996100  0.33162800  1.0
  O  O8  1  0.20112600  0.94265100  0.08522600  1.0
  O  O9  1  0.79887400  0.05734900  0.91477400  1.0
  O  O10  1  0.43136400  0.86888400  0.29899100  1.0
  O  O11  1  0.56863600  0.13111600  0.70100900  1.0
  O  O12  1  0.58684300  0.18333100  0.23105700  1.0
  O  O13  1  0.41315700  0.81666900  0.76894300  1.0
  O  O14  1  0.38530600  0.31717800  0.07561500  1.0
  O  O15  1  0.61469400  0.68282200  0.92438500  1.0
  O  O16  1  0.64133400  0.57025300  0.30411400  1.0
  O  O17  1  0.35866600  0.42974700  0.69588600  1.0
  O  O18  1  0.20848500  0.52035200  0.90814000  1.0
  O  O19  1  0.79151500  0.47964800  0.09186000  1.0
  O  O20  1  0.90275200  0.26953300  0.54578500  1.0
  O  O21  1  0.09724800  0.73046700  0.45421500  1.0
  O  O22  1  0.77605500  0.32880300  0.64307200  1.0
  O  O23  1  0.22394500  0.67119700  0.35692800  1.0