# generated using pymatgen
data_Cu(BO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59859970
_cell_length_b   8.59859779
_cell_length_c   8.59864898
_cell_angle_alpha   96.14374268
_cell_angle_beta   96.14365435
_cell_angle_gamma   141.80855855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(BO2)2
_chemical_formula_sum   'Cu6 B12 O24'
_cell_volume   371.44927448
_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
  Cu  Cu0  1  0.75000517  0.25000016  0.50000458  1.0
  Cu  Cu1  1  0.49999607  0.50000031  -0.00000428  1.0
  Cu  Cu2  1  0.12499756  0.79307248  0.16807290  1.0
  Cu  Cu3  1  0.62499901  0.95692774  0.83192929  1.0
  Cu  Cu4  1  0.20692686  0.37499888  0.33192694  1.0
  Cu  Cu5  1  0.04307130  0.87499744  0.66807090  1.0
  B  B6  1  0.79983627  0.26253187  0.16740936  1.0
  B  B7  1  0.45016362  0.11757285  0.96269587  1.0
  B  B8  1  0.09512313  0.63242750  0.83259158  1.0
  B  B9  1  0.15487700  0.48746821  0.03730423  1.0
  B  B10  1  0.73746722  0.90487572  0.53730357  1.0
  B  B11  1  0.51253246  0.54983633  0.66740810  1.0
  B  B12  1  0.36757317  0.20016412  0.46269495  1.0
  B  B13  1  0.88242616  0.84512113  0.33259070  1.0
  B  B14  1  0.62499957  0.37574100  0.25074114  1.0
  B  B15  1  0.12499995  0.37425960  0.74925996  1.0
  B  B16  1  0.62426049  0.87500082  0.24925949  1.0
  B  B17  1  0.62573939  0.37499855  0.75074010  1.0
  O  O18  1  0.67470332  0.08598874  0.27163202  1.0
  O  O19  1  0.57529596  0.34692784  0.91128465  1.0
  O  O20  1  0.81435797  0.40307162  0.72836769  1.0
  O  O21  1  0.43564273  0.66401004  0.08871433  1.0
  O  O22  1  0.91401108  0.18564326  0.58871504  1.0
  O  O23  1  0.33599045  0.42470442  0.77163299  1.0
  O  O24  1  0.59692679  0.32529553  0.41128492  1.0
  O  O25  1  0.65307309  0.56435908  0.22836954  1.0
  O  O26  1  0.62500094  0.12230099  0.99730078  1.0
  O  O27  1  0.12499988  0.62769884  0.00269872  1.0
  O  O28  1  0.87770028  0.87500124  0.50269959  1.0
  O  O29  1  0.37230068  0.37500083  0.49730166  1.0
  O  O30  1  0.04140624  0.37500021  0.16640488  1.0
  O  O31  1  0.20859466  0.87500007  0.83359480  1.0
  O  O32  1  0.62499986  0.79140549  0.66640523  1.0
  O  O33  1  0.12500148  0.95859572  0.33359479  1.0
  O  O34  1  0.86025562  0.47438780  0.23822280  1.0
  O  O35  1  0.38974427  0.12796748  0.11413218  1.0
  O  O36  1  0.23616567  0.62203318  0.76177703  1.0
  O  O37  1  0.01383486  0.27561188  0.88586813  1.0
  O  O38  1  0.52561229  0.76383478  0.38586809  1.0
  O  O39  1  0.72438813  0.61025569  0.73822255  1.0
  O  O40  1  0.37796709  0.13974424  0.61413214  1.0
  O  O41  1  0.87203325  0.98616529  0.26177704  1.0