# generated using pymatgen
data_Th3Sc(SnRu)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56142255
_cell_length_b   7.06493363
_cell_length_c   8.09938438
_cell_angle_alpha   89.76051013
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc(SnRu)4
_chemical_formula_sum   'Th3 Sc1 Sn4 Ru4'
_cell_volume   261.00967598
_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  0.96557543  0.32101340  1.0
  Th  Th1  1  0.25000000  0.46588485  0.16981707  1.0
  Th  Th2  1  0.75000000  0.03777387  0.67607042  1.0
  Sc  Sc3  1  0.75000000  0.53779907  0.82850982  1.0
  Sn  Sn4  1  0.25000000  0.37023519  0.58016650  1.0
  Sn  Sn5  1  0.25000000  0.84411419  0.92406730  1.0
  Sn  Sn6  1  0.75000000  0.63881019  0.44083652  1.0
  Sn  Sn7  1  0.75000000  0.14360717  0.06321935  1.0
  Ru  Ru8  1  0.25000000  0.24811217  0.89665246  1.0
  Ru  Ru9  1  0.25000000  0.75863937  0.60145500  1.0
  Ru  Ru10  1  0.75000000  0.74195214  0.10742437  1.0
  Ru  Ru11  1  0.75000000  0.24749235  0.39076979  1.0