# generated using pymatgen
data_SrCu2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28681241
_cell_length_b   7.28681241
_cell_length_c   7.28681303
_cell_angle_alpha   102.71824613
_cell_angle_beta   102.71825620
_cell_angle_gamma   124.03409063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2(BO3)2
_chemical_formula_sum   'Sr2 Cu4 B4 O12'
_cell_volume   283.14977562
_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  0.50164200  0.50164200  0.00000000  1.0
  Sr  Sr1  1  0.00164200  0.00164200  0.00000000  1.0
  Cu  Cu2  1  0.36330300  0.86330300  0.73157600  1.0
  Cu  Cu3  1  0.13172800  0.63172800  0.26842400  1.0
  Cu  Cu4  1  0.86330300  0.13172800  0.50000000  1.0
  Cu  Cu5  1  0.63172800  0.36330300  0.50000000  1.0
  B  B6  1  0.54632500  0.04632500  0.09554200  1.0
  B  B7  1  0.95078300  0.45078300  0.90445800  1.0
  B  B8  1  0.04632500  0.95078300  0.50000000  1.0
  B  B9  1  0.45078300  0.54632500  0.50000000  1.0
  O  O10  1  0.33638400  0.64370100  0.50000000  1.0
  O  O11  1  0.14370100  0.83638400  0.50000000  1.0
  O  O12  1  0.83638400  0.33638400  0.69268300  1.0
  O  O13  1  0.64370100  0.14370100  0.30731700  1.0
  O  O14  1  0.40026600  0.08220000  0.97839900  1.0
  O  O15  1  0.10380100  0.42186700  0.02160100  1.0
  O  O16  1  0.90026600  0.92186700  0.31806600  1.0
  O  O17  1  0.60380100  0.58220000  0.68193400  1.0
  O  O18  1  0.42186700  0.40026600  0.31806600  1.0
  O  O19  1  0.08220000  0.10380100  0.68193400  1.0
  O  O20  1  0.58220000  0.90026600  0.97839900  1.0
  O  O21  1  0.92186700  0.60380100  0.02160100  1.0