# generated using pymatgen
data_Sc6Sn7Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54082794
_cell_length_b   7.54082853
_cell_length_c   7.21284878
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6Sn7Ir5
_chemical_formula_sum   'Sc6 Sn7 Ir5'
_cell_volume   355.20215015
_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  0.39248540  0.99858319  0.23629250  1.0
  Sc  Sc1  1  0.60609878  0.60751460  0.23629250  1.0
  Sc  Sc2  1  0.00141681  0.39390122  0.23629250  1.0
  Sc  Sc3  1  0.36927124  0.95988871  0.76760201  1.0
  Sc  Sc4  1  0.59061746  0.63072876  0.76760201  1.0
  Sc  Sc5  1  0.04011129  0.40938254  0.76760201  1.0
  Sn  Sn6  1  0.28756169  0.27435256  0.99901283  1.0
  Sn  Sn7  1  0.98678987  0.71243831  0.99901283  1.0
  Sn  Sn8  1  0.01703398  0.75332776  0.49461227  1.0
  Sn  Sn9  1  0.73629379  0.98296602  0.49461227  1.0
  Sn  Sn10  1  0.24667224  0.26370621  0.49461227  1.0
  Sn  Sn11  1  0.72564744  0.01321013  0.99901283  1.0
  Sn  Sn12  1  0.66666700  0.33333300  0.55525526  1.0
  Ir  Ir13  1  0.00000000  0.00000000  0.76348235  1.0
  Ir  Ir14  1  0.00000000  0.00000000  0.23024149  1.0
  Ir  Ir15  1  0.66666700  0.33333300  0.95507053  1.0
  Ir  Ir16  1  0.33333300  0.66666700  0.48200385  1.0
  Ir  Ir17  1  0.33333300  0.66666700  0.02138470  1.0