# generated using pymatgen
data_Sc2Pa(AlIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14979852
_cell_length_b   6.97038713
_cell_length_c   3.76524516
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.85515351
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Pa(AlIr)3
_chemical_formula_sum   'Sc2 Pa1 Al3 Ir3'
_cell_volume   161.08954889
_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  0.99663537  0.40791741  0.00000000  1.0
  Sc  Sc1  1  0.58871795  0.59208159  0.00000000  1.0
  Pa  Pa2  1  0.42599570  1.00000000  0.00000000  1.0
  Al  Al3  1  0.77077766  1.00000000  0.50000000  1.0
  Al  Al4  1  0.24770983  0.26186485  0.50000000  1.0
  Al  Al5  1  0.98584498  0.73813515  0.50000000  1.0
  Ir  Ir6  1  0.00499763  0.00000000  0.00000000  1.0
  Ir  Ir7  1  0.64867220  0.31802053  0.50000000  1.0
  Ir  Ir8  1  0.33065167  0.68197947  0.50000000  1.0