# generated using pymatgen
data_SrSc2(H6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70215471
_cell_length_b   4.70215631
_cell_length_c   8.29813143
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999572
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSc2(H6Ir)2
_chemical_formula_sum   'Sr1 Sc2 H12 Ir2'
_cell_volume   158.89306254
_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
  Sr  Sr0  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.37260737  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.62739263  1.0
  H  H3  1  0.16600027  0.83399973  0.38858589  1.0
  H  H4  1  0.66800046  0.83399973  0.38858589  1.0
  H  H5  1  0.16600027  0.33199954  0.38858589  1.0
  H  H6  1  0.83399973  0.16600027  0.61141411  1.0
  H  H7  1  0.33199954  0.16600027  0.61141411  1.0
  H  H8  1  0.83399973  0.66800046  0.61141411  1.0
  H  H9  1  0.49689683  0.99379167  0.84727532  1.0
  H  H10  1  0.49689683  0.50310317  0.84727532  1.0
  H  H11  1  0.00620833  0.50310317  0.84727532  1.0
  H  H12  1  0.50310317  0.00620833  0.15272468  1.0
  H  H13  1  0.50310317  0.49689683  0.15272468  1.0
  H  H14  1  0.99379167  0.49689683  0.15272468  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.73250378  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.26749622  1.0