# generated using pymatgen
data_Th3Sc2Ru3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21440437
_cell_length_b   8.13139266
_cell_length_c   8.13139254
_cell_angle_alpha   120.00000338
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Sc2Ru3
_chemical_formula_sum   'Th6 Sc4 Ru6'
_cell_volume   355.84427797
_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  0.74341189  0.74341189  1.0
  Th  Th1  1  0.25000000  0.25658811  0.25658811  1.0
  Th  Th2  1  0.75000000  1.00000000  0.25658811  1.0
  Th  Th3  1  0.25000000  0.00000000  0.74341189  1.0
  Th  Th4  1  0.75000000  0.25658811  1.00000000  1.0
  Th  Th5  1  0.25000000  0.74341189  0.00000000  1.0
  Sc  Sc6  1  0.00000000  0.66666700  0.33333300  1.0
  Sc  Sc7  1  0.00000000  0.33333300  0.66666700  1.0
  Sc  Sc8  1  0.50000000  0.33333300  0.66666700  1.0
  Sc  Sc9  1  0.50000000  0.66666700  0.33333300  1.0
  Ru  Ru10  1  0.75000000  0.38510592  0.38510592  1.0
  Ru  Ru11  1  0.25000000  0.61489408  0.61489408  1.0
  Ru  Ru12  1  0.75000000  0.00000000  0.61489408  1.0
  Ru  Ru13  1  0.25000000  1.00000000  0.38510592  1.0
  Ru  Ru14  1  0.75000000  0.61489408  0.00000000  1.0
  Ru  Ru15  1  0.25000000  0.38510592  1.00000000  1.0