# generated using pymatgen
data_Sc6GaSn6Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49958550
_cell_length_b   7.49958545
_cell_length_c   7.13159072
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999592
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6GaSn6Ir5
_chemical_formula_sum   'Sc6 Ga1 Sn6 Ir5'
_cell_volume   347.36941688
_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  0.39001678  0.99544507  0.24144793  1.0
  Sc  Sc1  1  0.60542829  0.60998322  0.24144793  1.0
  Sc  Sc2  1  0.00455493  0.39457171  0.24144793  1.0
  Sc  Sc3  1  0.37158510  0.96746916  0.75937313  1.0
  Sc  Sc4  1  0.59588406  0.62841490  0.75937313  1.0
  Sc  Sc5  1  0.03253084  0.40411594  0.75937313  1.0
  Ga  Ga6  1  0.66666700  0.33333300  0.56524962  1.0
  Sn  Sn7  1  0.29051789  0.27849422  0.99865636  1.0
  Sn  Sn8  1  0.98797433  0.70948211  0.99865636  1.0
  Sn  Sn9  1  0.99967959  0.73909316  0.49630578  1.0
  Sn  Sn10  1  0.73941257  0.00032041  0.49630578  1.0
  Sn  Sn11  1  0.26090684  0.26058743  0.49630578  1.0
  Sn  Sn12  1  0.72150578  0.01202567  0.99865636  1.0
  Ir  Ir13  1  0.00000000  0.00000000  0.76768060  1.0
  Ir  Ir14  1  0.00000000  0.00000000  0.22619564  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.95282469  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.48398827  1.0
  Ir  Ir17  1  0.33333300  0.66666700  0.01671157  1.0