# generated using pymatgen
data_Ba(BO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.39774696
_cell_length_b   8.39774625
_cell_length_c   8.39774744
_cell_angle_alpha   97.03737863
_cell_angle_beta   97.03737751
_cell_angle_gamma   97.03737895
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(BO2)2
_chemical_formula_sum   'Ba6 B12 O24'
_cell_volume   577.62369083
_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
  Ba  Ba0  1  0.25753034  0.62060489  0.97518909  1.0
  Ba  Ba1  1  0.62060489  0.97518909  0.25753034  1.0
  Ba  Ba2  1  0.97518909  0.25753034  0.62060489  1.0
  Ba  Ba3  1  0.47518909  0.12060489  0.75753034  1.0
  Ba  Ba4  1  0.12060489  0.75753034  0.47518909  1.0
  Ba  Ba5  1  0.75753034  0.47518909  0.12060489  1.0
  B  B6  1  0.12297511  0.95126629  0.90620296  1.0
  B  B7  1  0.95126629  0.90620296  0.12297511  1.0
  B  B8  1  0.90620296  0.12297511  0.95126629  1.0
  B  B9  1  0.40620296  0.45126629  0.62297511  1.0
  B  B10  1  0.45126629  0.62297511  0.40620296  1.0
  B  B11  1  0.62297511  0.40620296  0.45126629  1.0
  B  B12  1  0.65525180  0.73337228  0.87917649  1.0
  B  B13  1  0.87917649  0.65525180  0.73337228  1.0
  B  B14  1  0.73337228  0.87917649  0.65525180  1.0
  B  B15  1  0.23337228  0.15525180  0.37917649  1.0
  B  B16  1  0.37917649  0.23337228  0.15525180  1.0
  B  B17  1  0.15525180  0.37917649  0.23337228  1.0
  O  O18  1  0.57843950  0.53653782  0.37192775  1.0
  O  O19  1  0.37192775  0.57843950  0.53653782  1.0
  O  O20  1  0.53653782  0.37192775  0.57843950  1.0
  O  O21  1  0.03653782  0.07843950  0.87192775  1.0
  O  O22  1  0.87192775  0.03653782  0.07843950  1.0
  O  O23  1  0.07843950  0.87192775  0.03653782  1.0
  O  O24  1  0.57163226  0.71520293  0.00018178  1.0
  O  O25  1  0.00018178  0.57163226  0.71520293  1.0
  O  O26  1  0.71520293  0.00018178  0.57163226  1.0
  O  O27  1  0.21520293  0.07163226  0.50018178  1.0
  O  O28  1  0.50018178  0.21520293  0.07163226  1.0
  O  O29  1  0.07163226  0.50018178  0.21520293  1.0
  O  O30  1  0.77590030  0.63522840  0.84995857  1.0
  O  O31  1  0.84995857  0.77590030  0.63522840  1.0
  O  O32  1  0.63522840  0.84995857  0.77590030  1.0
  O  O33  1  0.13522840  0.27590030  0.34995857  1.0
  O  O34  1  0.34995857  0.13522840  0.27590030  1.0
  O  O35  1  0.27590030  0.34995857  0.13522840  1.0
  O  O36  1  0.73623558  0.32378820  0.40330566  1.0
  O  O37  1  0.40330566  0.73623558  0.32378820  1.0
  O  O38  1  0.32378820  0.40330566  0.73623558  1.0
  O  O39  1  0.82378820  0.23623558  0.90330566  1.0
  O  O40  1  0.90330566  0.82378820  0.23623558  1.0
  O  O41  1  0.23623558  0.90330566  0.82378820  1.0