# generated using pymatgen
data_ThScZn4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85075515
_cell_length_b   6.85075515
_cell_length_c   5.21419691
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThScZn4Ru
_chemical_formula_sum   'Th2 Sc2 Zn8 Ru2'
_cell_volume   244.71710168
_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  0.00000000  0.50000000  0.77752183  1.0
  Th  Th1  1  0.50000000  0.00000000  0.22247817  1.0
  Sc  Sc2  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc3  1  0.50000000  0.50000000  0.00000000  1.0
  Zn  Zn4  1  0.18784841  0.68784841  0.28138199  1.0
  Zn  Zn5  1  0.81215159  0.68784841  0.28138199  1.0
  Zn  Zn6  1  0.81215159  0.31215159  0.28138199  1.0
  Zn  Zn7  1  0.31215159  0.18784841  0.71861801  1.0
  Zn  Zn8  1  0.18784841  0.31215159  0.28138199  1.0
  Zn  Zn9  1  0.68784841  0.18784841  0.71861801  1.0
  Zn  Zn10  1  0.68784841  0.81215159  0.71861801  1.0
  Zn  Zn11  1  0.31215159  0.81215159  0.71861801  1.0
  Ru  Ru12  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru13  1  0.00000000  0.00000000  0.50000000  1.0