# generated using pymatgen
data_TmThAlRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64070904
_cell_length_b   5.64070908
_cell_length_c   7.10665279
_cell_angle_alpha   87.15030222
_cell_angle_beta   92.84970024
_cell_angle_gamma   116.12663761
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmThAlRu2
_chemical_formula_sum   'Tm2 Th2 Al2 Ru4'
_cell_volume   202.66402035
_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  0.34368085  0.65631915  0.08372305  1.0
  Tm  Tm1  1  0.65631915  0.34368085  0.91627695  1.0
  Th  Th2  1  0.16767012  0.83232988  0.60332160  1.0
  Th  Th3  1  0.83232988  0.16767012  0.39667840  1.0
  Al  Al4  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al5  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru6  1  0.85638496  0.64735549  0.25908953  1.0
  Ru  Ru7  1  0.64735549  0.85638496  0.74091047  1.0
  Ru  Ru8  1  0.14361504  0.35264451  0.74091047  1.0
  Ru  Ru9  1  0.35264451  0.14361504  0.25908953  1.0