# generated using pymatgen
data_ScPa3(GeIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29022721
_cell_length_b   6.83263175
_cell_length_c   7.61310905
_cell_angle_alpha   90.69753110
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScPa3(GeIr)4
_chemical_formula_sum   'Sc1 Pa3 Ge4 Ir4'
_cell_volume   223.15065938
_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  0.75000000  0.50599738  0.80010347  1.0
  Pa  Pa1  1  0.25000000  0.99492830  0.29849831  1.0
  Pa  Pa2  1  0.25000000  0.49575987  0.19706257  1.0
  Pa  Pa3  1  0.75000000  0.00836635  0.70389131  1.0
  Ge  Ge4  1  0.25000000  0.33389265  0.59482120  1.0
  Ge  Ge5  1  0.25000000  0.80577778  0.90981053  1.0
  Ge  Ge6  1  0.75000000  0.67589896  0.42052449  1.0
  Ge  Ge7  1  0.75000000  0.18222201  0.07925129  1.0
  Ir  Ir8  1  0.25000000  0.22139814  0.91202916  1.0
  Ir  Ir9  1  0.25000000  0.72724268  0.58315794  1.0
  Ir  Ir10  1  0.75000000  0.77383439  0.08923928  1.0
  Ir  Ir11  1  0.75000000  0.27468148  0.41161045  1.0