# generated using pymatgen
data_Tm2Th3IrRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24229545
_cell_length_b   8.24229719
_cell_length_c   6.46560982
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.11083208
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2Th3IrRu2
_chemical_formula_sum   'Tm4 Th6 Ir2 Ru4'
_cell_volume   379.97100722
_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
  Tm  Tm0  1  0.33586246  0.66413754  0.00000000  1.0
  Tm  Tm1  1  0.66413754  0.33586246  0.00000000  1.0
  Tm  Tm2  1  0.66413754  0.33586246  0.50000000  1.0
  Tm  Tm3  1  0.33586246  0.66413754  0.50000000  1.0
  Th  Th4  1  0.25100270  0.99249561  0.25000000  1.0
  Th  Th5  1  0.74899730  0.00750439  0.75000000  1.0
  Th  Th6  1  0.99249561  0.25100270  0.25000000  1.0
  Th  Th7  1  0.00750439  0.74899730  0.75000000  1.0
  Th  Th8  1  0.74969566  0.74969566  0.25000000  1.0
  Th  Th9  1  0.25030434  0.25030434  0.75000000  1.0
  Ir  Ir10  1  0.38384440  0.38384440  0.25000000  1.0
  Ir  Ir11  1  0.61615560  0.61615560  0.75000000  1.0
  Ru  Ru12  1  0.62433943  0.99983750  0.25000000  1.0
  Ru  Ru13  1  0.37566057  0.00016250  0.75000000  1.0
  Ru  Ru14  1  0.99983750  0.62433943  0.25000000  1.0
  Ru  Ru15  1  0.00016250  0.37566057  0.75000000  1.0