# generated using pymatgen
data_SrCu2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29114812
_cell_length_b   7.29114812
_cell_length_c   7.29114812
_cell_angle_alpha   102.77008393
_cell_angle_beta   102.77008393
_cell_angle_gamma   123.91216903
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2(BO3)2
_chemical_formula_sum   'Sr2 Cu4 B4 O12'
_cell_volume   283.90174234
_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
  Sr  Sr0  1  0.25000000  0.25000000  0.00000000  1.0
  Sr  Sr1  1  0.75000000  0.75000000  0.00000000  1.0
  Cu  Cu2  1  0.61711400  0.11711400  0.73422700  1.0
  Cu  Cu3  1  0.38288600  0.88288600  0.26577300  1.0
  Cu  Cu4  1  0.88288600  0.61711400  0.50000000  1.0
  Cu  Cu5  1  0.11711400  0.38288600  0.50000000  1.0
  B  B6  1  0.79833400  0.29833400  0.09666800  1.0
  B  B7  1  0.70166600  0.79833400  0.50000000  1.0
  B  B8  1  0.29833400  0.20166600  0.50000000  1.0
  B  B9  1  0.20166600  0.70166600  0.90333200  1.0
  O  O10  1  0.35087400  0.66906800  0.01994200  1.0
  O  O11  1  0.85087400  0.83093200  0.68180600  1.0
  O  O12  1  0.59514700  0.90485300  0.50000000  1.0
  O  O13  1  0.66906800  0.64912600  0.31819400  1.0
  O  O14  1  0.09514700  0.59514700  0.69029300  1.0
  O  O15  1  0.83093200  0.14912600  0.98005800  1.0
  O  O16  1  0.14912600  0.16906800  0.31819400  1.0
  O  O17  1  0.33093200  0.35087400  0.68180600  1.0
  O  O18  1  0.64912600  0.33093200  0.98005800  1.0
  O  O19  1  0.16906800  0.85087400  0.01994200  1.0
  O  O20  1  0.90485300  0.40485300  0.30970700  1.0
  O  O21  1  0.40485300  0.09514700  0.50000000  1.0