# generated using pymatgen
data_ThGa2BRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19237202
_cell_length_b   4.19266680
_cell_length_c   5.52245285
_cell_angle_alpha   90.00181354
_cell_angle_beta   89.99860223
_cell_angle_gamma   90.00145844
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThGa2BRu2
_chemical_formula_sum   'Th1 Ga2 B1 Ru2'
_cell_volume   97.06936296
_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  0.99992396  0.00009021  0.50009852  1.0
  Ga  Ga1  1  0.49996087  0.50001526  0.26955371  1.0
  Ga  Ga2  1  0.49998584  0.50002499  0.73034261  1.0
  B  B3  1  0.00005709  0.99993713  0.00013772  1.0
  Ru  Ru4  1  0.50005034  0.99998190  0.99993384  1.0
  Ru  Ru5  1  0.00001690  0.49994651  0.99993362  1.0