# generated using pymatgen
data_SrCu2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27998548
_cell_length_b   7.27998548
_cell_length_c   7.27998548
_cell_angle_alpha   102.75272941
_cell_angle_beta   102.75272941
_cell_angle_gamma   123.95296916
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2(BO3)2
_chemical_formula_sum   'Sr2 Cu4 B4 O12'
_cell_volume   282.51798530
_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  0.50000000  0.00000000  0.50000000  1.0
  Sr  Sr1  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.15818900  0.15818900  0.77137000  1.0
  Cu  Cu3  1  0.61318000  0.84181100  0.00000000  1.0
  Cu  Cu4  1  0.84181100  0.61318000  0.00000000  1.0
  Cu  Cu5  1  0.38682000  0.38682000  0.22863000  1.0
  B  B6  1  0.05212100  0.46038300  0.00000000  1.0
  B  B7  1  0.94787900  0.94787900  0.40826200  1.0
  B  B8  1  0.46038300  0.05212100  0.00000000  1.0
  B  B9  1  0.53961700  0.53961700  0.59173800  1.0
  O  O10  1  0.92708700  0.10900700  0.52521800  1.0
  O  O11  1  0.59813100  0.07291300  0.18192000  1.0
  O  O12  1  0.41621100  0.89099300  0.81808000  1.0
  O  O13  1  0.10900700  0.92708700  0.52521800  1.0
  O  O14  1  0.07291300  0.59813100  0.18192000  1.0
  O  O15  1  0.40186900  0.58378900  0.47478200  1.0
  O  O16  1  0.61955000  0.61955000  0.80274300  1.0
  O  O17  1  0.18319300  0.38045000  0.00000000  1.0
  O  O18  1  0.38045000  0.18319300  0.00000000  1.0
  O  O19  1  0.81680700  0.81680700  0.19725700  1.0
  O  O20  1  0.58378900  0.40186900  0.47478200  1.0
  O  O21  1  0.89099300  0.41621100  0.81808000  1.0