# generated using pymatgen
data_Sc8Cu3IrO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61647923
_cell_length_b   8.62242507
_cell_length_c   8.62242466
_cell_angle_alpha   60.14610642
_cell_angle_beta   60.02281093
_cell_angle_gamma   60.02280206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Cu3IrO2
_chemical_formula_sum   'Sc16 Cu6 Ir2 O4'
_cell_volume   453.62908731
_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
  Sc  Sc0  1  0.81820081  0.18017676  0.81942762  1.0
  Sc  Sc1  1  0.17896879  0.81667138  0.18956833  1.0
  Sc  Sc2  1  0.43520849  0.06043167  0.43332862  1.0
  Sc  Sc3  1  0.43145594  0.06051685  0.07656928  1.0
  Sc  Sc4  1  0.06659464  0.43502272  0.43178699  1.0
  Sc  Sc5  1  0.06780718  0.43057238  0.06982324  1.0
  Sc  Sc6  1  0.18219282  0.18017676  0.81942762  1.0
  Sc  Sc7  1  0.43179919  0.43057238  0.06982324  1.0
  Sc  Sc8  1  0.12500000  0.62273611  0.62726389  1.0
  Sc  Sc9  1  0.62771982  0.62586045  0.11870091  1.0
  Sc  Sc10  1  0.62500000  0.62273611  0.62726389  1.0
  Sc  Sc11  1  0.62228018  0.13129909  0.62413955  1.0
  Sc  Sc12  1  0.18340536  0.81821301  0.81497728  1.0
  Sc  Sc13  1  0.81854406  0.17343072  0.18948315  1.0
  Sc  Sc14  1  0.07103121  0.06043167  0.43332862  1.0
  Sc  Sc15  1  0.81479151  0.81667138  0.18956833  1.0
  Cu  Cu16  1  0.83272152  0.83858332  0.82848197  1.0
  Cu  Cu17  1  0.50021320  0.83858332  0.82848197  1.0
  Cu  Cu18  1  0.41727848  0.42151803  0.41141668  1.0
  Cu  Cu19  1  0.41362754  0.41893807  0.75380685  1.0
  Cu  Cu20  1  0.83637246  0.49619315  0.83106193  1.0
  Cu  Cu21  1  0.74978680  0.42151803  0.41141668  1.0
  Ir  Ir22  1  0.41419950  0.75903541  0.41256658  1.0
  Ir  Ir23  1  0.83580050  0.83743342  0.49096459  1.0
  O  O24  1  0.12416879  0.12622318  0.62543824  1.0
  O  O25  1  0.62500000  0.12594443  0.12405557  1.0
  O  O26  1  0.12500000  0.12594443  0.12405557  1.0
  O  O27  1  0.12583121  0.62456176  0.12377682  1.0