# generated using pymatgen
data_ScPa3Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.71785110
_cell_length_b   5.53080019
_cell_length_c   5.58519491
_cell_angle_alpha   82.79338298
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPa3Ir4
_chemical_formula_sum   'Sc2 Pa6 Ir8'
_cell_volume   328.46535413
_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  0.14127368  0.09612109  0.60956772  1.0
  Sc  Sc1  1  0.64127368  0.40387891  0.39043228  1.0
  Pa  Pa2  1  0.86193794  0.36030322  0.86653674  1.0
  Pa  Pa3  1  0.36193794  0.13969678  0.13346326  1.0
  Pa  Pa4  1  0.85971156  0.89607127  0.36773224  1.0
  Pa  Pa5  1  0.35971156  0.60392873  0.63226776  1.0
  Pa  Pa6  1  0.13382372  0.65071731  0.14727290  1.0
  Pa  Pa7  1  0.63382372  0.84928269  0.85272710  1.0
  Ir  Ir8  1  0.59811509  0.34478354  0.90184611  1.0
  Ir  Ir9  1  0.09811509  0.15521646  0.09815389  1.0
  Ir  Ir10  1  0.60042515  0.91020559  0.34167604  1.0
  Ir  Ir11  1  0.10042515  0.58979441  0.65832396  1.0
  Ir  Ir12  1  0.39927020  0.63742207  0.13108718  1.0
  Ir  Ir13  1  0.89927020  0.86257793  0.86891282  1.0
  Ir  Ir14  1  0.40544267  0.10665239  0.63341883  1.0
  Ir  Ir15  1  0.90544267  0.39334761  0.36658117  1.0