# generated using pymatgen
data_Th3Sc(InRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97298762
_cell_length_b   7.21103263
_cell_length_c   9.12904666
_cell_angle_alpha   90.38793371
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc(InRu)4
_chemical_formula_sum   'Th3 Sc1 In4 Ru4'
_cell_volume   261.53519777
_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  0.25000000  0.97672885  0.31482034  1.0
  Th  Th1  1  0.25000000  0.47556357  0.18102042  1.0
  Th  Th2  1  0.75000000  0.02658295  0.69219095  1.0
  Sc  Sc3  1  0.75000000  0.52846231  0.81187223  1.0
  In  In4  1  0.25000000  0.36417421  0.55437786  1.0
  In  In5  1  0.25000000  0.83708405  0.94866010  1.0
  In  In6  1  0.75000000  0.64359216  0.45578023  1.0
  In  In7  1  0.75000000  0.14692388  0.04285141  1.0
  Ru  Ru8  1  0.25000000  0.25283126  0.83936233  1.0
  Ru  Ru9  1  0.25000000  0.74628438  0.65788516  1.0
  Ru  Ru10  1  0.75000000  0.75217775  0.16182721  1.0
  Ru  Ru11  1  0.75000000  0.24959162  0.33935374  1.0