# generated using pymatgen
data_Th3Al3CuRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17108311
_cell_length_b   7.17108243
_cell_length_c   4.09666603
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000315
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3Al3CuRu2
_chemical_formula_sum   'Th3 Al3 Cu1 Ru2'
_cell_volume   182.44444692
_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  0.00000000  0.42423640  0.50000000  1.0
  Th  Th1  1  0.57576360  0.57576360  0.50000000  1.0
  Th  Th2  1  0.42423640  0.00000000  0.50000000  1.0
  Al  Al3  1  0.00000000  0.76997409  0.00000000  1.0
  Al  Al4  1  0.23002591  0.23002591  0.00000000  1.0
  Al  Al5  1  0.76997409  0.00000000  0.00000000  1.0
  Cu  Cu6  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru7  1  0.33333300  0.66666700  0.00000000  1.0
  Ru  Ru8  1  0.66666700  0.33333300  0.00000000  1.0