# generated using pymatgen
data_Sc3Pa(Ga3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47379177
_cell_length_b   7.46638312
_cell_length_c   9.29212660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.92305152
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Pa(Ga3Ir)6
_chemical_formula_sum   'Sc3 Pa1 Ga18 Ir6'
_cell_volume   449.40017563
_cell_formula_units_Z   1
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  0.00189425  0.33117117  0.75000000  1.0
  Sc  Sc1  1  0.67208940  0.99706975  0.25000000  1.0
  Sc  Sc2  1  0.32969680  0.00185291  0.75000000  1.0
  Pa  Pa3  1  0.99723678  0.66953856  0.25000000  1.0
  Ga  Ga4  1  0.13286500  0.13352455  0.25000000  1.0
  Ga  Ga5  1  0.87327403  0.87694151  0.75000000  1.0
  Ga  Ga6  1  0.99768642  0.32661722  0.07767101  1.0
  Ga  Ga7  1  0.00335782  0.66538685  0.91046685  1.0
  Ga  Ga8  1  0.00335782  0.66538685  0.58953315  1.0
  Ga  Ga9  1  0.34337996  0.00453475  0.42168466  1.0
  Ga  Ga10  1  0.99768642  0.32661722  0.42232899  1.0
  Ga  Ga11  1  0.66583713  0.00439036  0.58232303  1.0
  Ga  Ga12  1  0.66583713  0.00439036  0.91767697  1.0
  Ga  Ga13  1  0.34337996  0.00453475  0.07831534  1.0
  Ga  Ga14  1  0.32795144  0.32786625  0.57705532  1.0
  Ga  Ga15  1  0.66107580  0.66884750  0.43234622  1.0
  Ga  Ga16  1  0.66107580  0.66884750  0.06765378  1.0
  Ga  Ga17  1  0.32795144  0.32786625  0.92294468  1.0
  Ga  Ga18  1  0.33977495  0.54669297  0.25000000  1.0
  Ga  Ga19  1  0.65971349  0.44964032  0.75000000  1.0
  Ga  Ga20  1  0.54243418  0.33741136  0.25000000  1.0
  Ga  Ga21  1  0.45046284  0.66395352  0.75000000  1.0
  Ir  Ir22  1  0.67571114  0.33337427  0.00202531  1.0
  Ir  Ir23  1  0.32511559  0.67057258  0.00126539  1.0
  Ir  Ir24  1  0.32511559  0.67057258  0.49873461  1.0
  Ir  Ir25  1  0.67571114  0.33337427  0.49797469  1.0
  Ir  Ir26  1  0.00016533  0.99451141  0.00277205  1.0
  Ir  Ir27  1  0.00016533  0.99451141  0.49722795  1.0