# generated using pymatgen
data_ScMoIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53984462
_cell_length_b   5.53984372
_cell_length_c   4.45021400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001127
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMoIr6
_chemical_formula_sum   'Sc1 Mo1 Ir6'
_cell_volume   118.27870884
_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  0.33333300  0.66666700  0.25000000  1.0
  Mo  Mo1  1  0.66666700  0.33333300  0.75000000  1.0
  Ir  Ir2  1  0.83352472  0.66705045  0.25000000  1.0
  Ir  Ir3  1  0.16133566  0.83866434  0.75000000  1.0
  Ir  Ir4  1  0.67732868  0.83866434  0.75000000  1.0
  Ir  Ir5  1  0.33294955  0.16647528  0.25000000  1.0
  Ir  Ir6  1  0.83352472  0.16647528  0.25000000  1.0
  Ir  Ir7  1  0.16133566  0.32267132  0.75000000  1.0