# generated using pymatgen
data_Tm3(ThSn2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06024072
_cell_length_b   8.13891067
_cell_length_c   15.42661925
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3(ThSn2)2
_chemical_formula_sum   'Tm12 Th8 Sn16'
_cell_volume   1012.01058412
_cell_formula_units_Z   4
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  0.35357768  0.83944172  0.87508427  1.0
  Tm  Tm1  1  0.85357768  0.66055828  0.62491573  1.0
  Tm  Tm2  1  0.64642232  0.16055828  0.37508427  1.0
  Tm  Tm3  1  0.14642232  0.33944172  0.12491573  1.0
  Tm  Tm4  1  0.64642232  0.16055828  0.12491573  1.0
  Tm  Tm5  1  0.14642232  0.33944172  0.37508427  1.0
  Tm  Tm6  1  0.35357768  0.83944172  0.62491573  1.0
  Tm  Tm7  1  0.85357768  0.66055828  0.87508427  1.0
  Tm  Tm8  1  0.18206207  0.49894579  0.75000000  1.0
  Tm  Tm9  1  0.68206207  0.00105421  0.75000000  1.0
  Tm  Tm10  1  0.81793793  0.50105421  0.25000000  1.0
  Tm  Tm11  1  0.31793793  0.99894579  0.25000000  1.0
  Th  Th12  1  0.51512334  0.32062543  0.90563307  1.0
  Th  Th13  1  0.01512334  0.17937457  0.59436693  1.0
  Th  Th14  1  0.48487666  0.67937457  0.40563307  1.0
  Th  Th15  1  0.98487666  0.82062543  0.09436693  1.0
  Th  Th16  1  0.48487666  0.67937457  0.09436693  1.0
  Th  Th17  1  0.98487666  0.82062543  0.40563307  1.0
  Th  Th18  1  0.51512334  0.32062543  0.59436693  1.0
  Th  Th19  1  0.01512334  0.17937457  0.90563307  1.0
  Sn  Sn20  1  0.30260419  0.04364451  0.04258723  1.0
  Sn  Sn21  1  0.80260419  0.45635549  0.45741277  1.0
  Sn  Sn22  1  0.69739581  0.95635549  0.54258723  1.0
  Sn  Sn23  1  0.19739581  0.54364451  0.95741277  1.0
  Sn  Sn24  1  0.69739581  0.95635549  0.95741277  1.0
  Sn  Sn25  1  0.19739581  0.54364451  0.54258723  1.0
  Sn  Sn26  1  0.30260419  0.04364451  0.45741277  1.0
  Sn  Sn27  1  0.80260419  0.45635549  0.04258723  1.0
  Sn  Sn28  1  0.54793015  0.62319740  0.75000000  1.0
  Sn  Sn29  1  0.04793015  0.87680260  0.75000000  1.0
  Sn  Sn30  1  0.45206985  0.37680260  0.25000000  1.0
  Sn  Sn31  1  0.95206985  0.12319740  0.25000000  1.0
  Sn  Sn32  1  0.32068713  0.14551697  0.75000000  1.0
  Sn  Sn33  1  0.82068713  0.35448303  0.75000000  1.0
  Sn  Sn34  1  0.67931287  0.85448303  0.25000000  1.0
  Sn  Sn35  1  0.17931287  0.64551697  0.25000000  1.0