# generated using pymatgen
data_Tm2(ThRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.15469607
_cell_length_b   8.15469694
_cell_length_c   6.56101441
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000038
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2(ThRu)3
_chemical_formula_sum   'Tm4 Th6 Ru6'
_cell_volume   377.84808588
_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  0.66666700  0.33333300  0.50000000  1.0
  Tm  Tm1  1  0.33333300  0.66666700  0.50000000  1.0
  Tm  Tm2  1  0.33333300  0.66666700  0.00000000  1.0
  Tm  Tm3  1  0.66666700  0.33333300  0.00000000  1.0
  Th  Th4  1  0.74683929  0.74683929  0.25000000  1.0
  Th  Th5  1  0.25316071  0.00000000  0.25000000  1.0
  Th  Th6  1  1.00000000  0.25316071  0.25000000  1.0
  Th  Th7  1  0.25316071  0.25316071  0.75000000  1.0
  Th  Th8  1  0.74683929  1.00000000  0.75000000  1.0
  Th  Th9  1  0.00000000  0.74683929  0.75000000  1.0
  Ru  Ru10  1  0.37521210  0.37521210  0.25000000  1.0
  Ru  Ru11  1  0.62478790  0.00000000  0.25000000  1.0
  Ru  Ru12  1  1.00000000  0.62478790  0.25000000  1.0
  Ru  Ru13  1  0.62478790  0.62478790  0.75000000  1.0
  Ru  Ru14  1  0.37521210  1.00000000  0.75000000  1.0
  Ru  Ru15  1  0.00000000  0.37521210  0.75000000  1.0