# generated using pymatgen
data_NaSc2(H6Ir)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68886280
_cell_length_b   4.68886438
_cell_length_c   8.16415296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999585
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSc2(H6Ir)2
_chemical_formula_sum   'Na1 Sc2 H12 Ir2'
_cell_volume   155.44507979
_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
  Na  Na0  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.66666700  0.33333300  0.36343106  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.63656894  1.0
  H  H3  1  0.16131179  0.83868821  0.38817016  1.0
  H  H4  1  0.67737742  0.83868821  0.38817016  1.0
  H  H5  1  0.16131179  0.32262258  0.38817016  1.0
  H  H6  1  0.83868821  0.16131179  0.61182984  1.0
  H  H7  1  0.32262258  0.16131179  0.61182984  1.0
  H  H8  1  0.83868821  0.67737742  0.61182984  1.0
  H  H9  1  0.50302319  0.00604538  0.84897703  1.0
  H  H10  1  0.50302319  0.49697681  0.84897703  1.0
  H  H11  1  0.99395462  0.49697681  0.84897703  1.0
  H  H12  1  0.49697681  0.99395462  0.15102297  1.0
  H  H13  1  0.49697681  0.50302319  0.15102297  1.0
  H  H14  1  0.00604538  0.50302319  0.15102297  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.72593080  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.27406920  1.0