# generated using pymatgen
data_Cu3BO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.89142500
_cell_length_b   3.27530500
_cell_length_c   9.85269357
_cell_angle_alpha   76.91276414
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3BO5
_chemical_formula_sum   'Cu12 B4 O20'
_cell_volume   373.77596318
_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
  Cu  Cu0  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.11500100  0.93591300  0.73562000  1.0
  Cu  Cu3  1  0.88499900  0.06408700  0.26438000  1.0
  Cu  Cu4  1  0.61500100  0.06408700  0.76438000  1.0
  Cu  Cu5  1  0.38499900  0.93591300  0.23562000  1.0
  Cu  Cu6  1  0.22280700  0.44363400  0.99390400  1.0
  Cu  Cu7  1  0.77719300  0.55636600  0.00609600  1.0
  Cu  Cu8  1  0.72280700  0.55636600  0.50609600  1.0
  Cu  Cu9  1  0.27719300  0.44363400  0.49390400  1.0
  Cu  Cu10  1  0.50000000  0.00000000  0.50000000  1.0
  Cu  Cu11  1  0.00000000  0.00000000  0.00000000  1.0
  B  B12  1  0.36385700  0.94781100  0.76483300  1.0
  B  B13  1  0.63614300  0.05218900  0.23516700  1.0
  B  B14  1  0.86385700  0.05218900  0.73516700  1.0
  B  B15  1  0.13614300  0.94781100  0.26483300  1.0
  O  O16  1  0.14409200  0.43550800  0.59316800  1.0
  O  O17  1  0.85590800  0.56449200  0.40683200  1.0
  O  O18  1  0.64409200  0.56449200  0.90683200  1.0
  O  O19  1  0.35590800  0.43550800  0.09316800  1.0
  O  O20  1  0.08499500  0.47767800  0.89124400  1.0
  O  O21  1  0.91500500  0.52232200  0.10875600  1.0
  O  O22  1  0.58499500  0.52232200  0.60875600  1.0
  O  O23  1  0.41500500  0.47767800  0.39124400  1.0
  O  O24  1  0.46158600  0.93624500  0.84078900  1.0
  O  O25  1  0.53841400  0.06375500  0.15921100  1.0
  O  O26  1  0.96158600  0.06375500  0.65921100  1.0
  O  O27  1  0.03841400  0.93624500  0.34078900  1.0
  O  O28  1  0.26193300  0.87377100  0.83255600  1.0
  O  O29  1  0.73806700  0.12622900  0.16744400  1.0
  O  O30  1  0.76193300  0.12622900  0.66744400  1.0
  O  O31  1  0.23806700  0.87377100  0.33255600  1.0
  O  O32  1  0.36657400  0.03972000  0.62122600  1.0
  O  O33  1  0.63342600  0.96028000  0.37877400  1.0
  O  O34  1  0.86657400  0.96028000  0.87877400  1.0
  O  O35  1  0.13342600  0.03972000  0.12122600  1.0