# generated using pymatgen
data_Th3Sc2TcRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27231226
_cell_length_b   8.08831129
_cell_length_c   8.08831100
_cell_angle_alpha   119.83897822
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc2TcRu2
_chemical_formula_sum   'Th6 Sc4 Tc2 Ru4'
_cell_volume   355.93966516
_cell_formula_units_Z   2
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  0.75000000  0.74920112  0.74920112  1.0
  Th  Th1  1  0.25000000  0.25079888  0.25079888  1.0
  Th  Th2  1  0.75000000  0.00235447  0.25731260  1.0
  Th  Th3  1  0.25000000  0.99764553  0.74268740  1.0
  Th  Th4  1  0.75000000  0.25731260  0.00235447  1.0
  Th  Th5  1  0.25000000  0.74268740  0.99764553  1.0
  Sc  Sc6  1  0.00000000  0.66575146  0.33424854  1.0
  Sc  Sc7  1  0.00000000  0.33424854  0.66575146  1.0
  Sc  Sc8  1  0.50000000  0.33424854  0.66575146  1.0
  Sc  Sc9  1  0.50000000  0.66575146  0.33424854  1.0
  Tc  Tc10  1  0.75000000  0.39485331  0.39485331  1.0
  Tc  Tc11  1  0.25000000  0.60514669  0.60514669  1.0
  Ru  Ru12  1  0.75000000  0.00443821  0.61831679  1.0
  Ru  Ru13  1  0.25000000  0.99556179  0.38168321  1.0
  Ru  Ru14  1  0.75000000  0.61831679  0.00443821  1.0
  Ru  Ru15  1  0.25000000  0.38168321  0.99556179  1.0