# generated using pymatgen
data_ScGeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13303271
_cell_length_b   6.50001847
_cell_length_c   7.46161089
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGeIr
_chemical_formula_sum   'Sc4 Ge4 Ir4'
_cell_volume   200.45460180
_cell_formula_units_Z   4
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  0.48535044  0.18949467  1.0
  Sc  Sc1  1  0.75000000  0.98535044  0.31050533  1.0
  Sc  Sc2  1  0.25000000  0.51464956  0.81050533  1.0
  Sc  Sc3  1  0.25000000  0.01464956  0.68949467  1.0
  Ge  Ge4  1  0.75000000  0.21704777  0.87882577  1.0
  Ge  Ge5  1  0.75000000  0.71704777  0.62117423  1.0
  Ge  Ge6  1  0.25000000  0.78295223  0.12117423  1.0
  Ge  Ge7  1  0.25000000  0.28295223  0.37882577  1.0
  Ir  Ir8  1  0.75000000  0.33781601  0.55830696  1.0
  Ir  Ir9  1  0.75000000  0.83781601  0.94169304  1.0
  Ir  Ir10  1  0.25000000  0.66218399  0.44169304  1.0
  Ir  Ir11  1  0.25000000  0.16218399  0.05830696  1.0