# generated using pymatgen
data_Th3In3Ir2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70261522
_cell_length_b   7.70261422
_cell_length_c   3.97732623
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3In3Ir2Ru
_chemical_formula_sum   'Th3 In3 Ir2 Ru1'
_cell_volume   204.36108314
_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  0.41193413  0.00000000  0.50000000  1.0
  Th  Th1  1  1.00000000  0.41193413  0.50000000  1.0
  Th  Th2  1  0.58806587  0.58806587  0.50000000  1.0
  In  In3  1  0.75155345  1.00000000  0.00000000  1.0
  In  In4  1  0.00000000  0.75155345  0.00000000  1.0
  In  In5  1  0.24844655  0.24844655  0.00000000  1.0
  Ir  Ir6  1  0.33333300  0.66666700  0.00000000  1.0
  Ir  Ir7  1  0.66666700  0.33333300  0.00000000  1.0
  Ru  Ru8  1  0.00000000  0.00000000  0.50000000  1.0