# generated using pymatgen
data_Sc2Pa(GaIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03914782
_cell_length_b   7.03914808
_cell_length_c   3.68201630
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   118.42387474
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Pa(GaIr)3
_chemical_formula_sum   'Sc2 Pa1 Ga3 Ir3'
_cell_volume   160.44906768
_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  0.40498980  0.00383928  0.00000000  1.0
  Sc  Sc1  1  0.00383928  0.40498980  0.00000000  1.0
  Pa  Pa2  1  0.57943469  0.57943469  0.00000000  1.0
  Ga  Ga3  1  0.01607959  0.74384129  0.50000000  1.0
  Ga  Ga4  1  0.23748081  0.23748081  0.50000000  1.0
  Ga  Ga5  1  0.74384129  0.01607959  0.50000000  1.0
  Ir  Ir6  1  0.99364423  0.99364423  0.00000000  1.0
  Ir  Ir7  1  0.66922366  0.35146666  0.50000000  1.0
  Ir  Ir8  1  0.35146666  0.66922366  0.50000000  1.0