# generated using pymatgen
data_Th5Sc(SnIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49587122
_cell_length_b   7.50342259
_cell_length_c   8.19539207
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.97089081
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th5Sc(SnIr)6
_chemical_formula_sum   'Th5 Sc1 Sn6 Ir6'
_cell_volume   399.30909675
_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
  Th  Th0  1  0.41605519  0.99996593  0.25000000  1.0
  Th  Th1  1  0.58425369  0.58615261  0.75000000  1.0
  Th  Th2  1  0.59088237  0.58929621  0.25000000  1.0
  Th  Th3  1  0.00145162  0.41059461  0.25000000  1.0
  Th  Th4  1  0.99823673  0.41393055  0.75000000  1.0
  Sc  Sc5  1  0.39652653  0.00054374  0.75000000  1.0
  Sn  Sn6  1  0.25315428  0.24624137  0.50230581  1.0
  Sn  Sn7  1  0.25315428  0.24624137  0.99769419  1.0
  Sn  Sn8  1  0.74238492  0.99996639  0.99070426  1.0
  Sn  Sn9  1  0.00699450  0.75375361  0.50238688  1.0
  Sn  Sn10  1  0.74238492  0.99996639  0.50929574  1.0
  Sn  Sn11  1  0.00699450  0.75375361  0.99761312  1.0
  Ir  Ir12  1  0.66830464  0.33393311  0.50443161  1.0
  Ir  Ir13  1  0.66830464  0.33393311  0.99556839  1.0
  Ir  Ir14  1  0.33433717  0.66587500  0.99569025  1.0
  Ir  Ir15  1  0.33433717  0.66587500  0.50430975  1.0
  Ir  Ir16  1  0.00265614  0.00005979  0.75000000  1.0
  Ir  Ir17  1  0.99958770  0.99991061  0.25000000  1.0