# generated using pymatgen
data_Tm3(Al3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72774972
_cell_length_b   8.72774981
_cell_length_c   9.44217430
_cell_angle_alpha   90.00000036
_cell_angle_beta   89.99999674
_cell_angle_gamma   120.00001492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3(Al3Ru)4
_chemical_formula_sum   'Tm6 Al24 Ru8'
_cell_volume   622.88396638
_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  0.80644260  0.19355736  0.74999318  1.0
  Tm  Tm1  1  0.19355713  0.80644251  0.25000672  1.0
  Tm  Tm2  1  0.38711489  0.19355787  0.74999346  1.0
  Tm  Tm3  1  0.61288537  0.80644266  0.25000659  1.0
  Tm  Tm4  1  0.80644251  0.61288506  0.74999317  1.0
  Tm  Tm5  1  0.19355761  0.38711451  0.25000664  1.0
  Al  Al6  1  0.66666668  0.33333324  0.98935708  1.0
  Al  Al7  1  0.33333325  0.66666656  0.01064256  1.0
  Al  Al8  1  0.33333340  0.66666666  0.48935770  1.0
  Al  Al9  1  0.66666667  0.33333327  0.51064273  1.0
  Al  Al10  1  0.83776667  0.16223329  0.42261484  1.0
  Al  Al11  1  0.16223342  0.83776673  0.57738533  1.0
  Al  Al12  1  0.32446673  0.16223319  0.42261470  1.0
  Al  Al13  1  0.16223419  0.83776584  0.92262419  1.0
  Al  Al14  1  0.67553318  0.83776666  0.57738548  1.0
  Al  Al15  1  0.83776575  0.16223425  0.07737568  1.0
  Al  Al16  1  0.83776672  0.67553327  0.42261465  1.0
  Al  Al17  1  0.67553140  0.83776577  0.92262396  1.0
  Al  Al18  1  0.16223336  0.32446691  0.57738552  1.0
  Al  Al19  1  0.32446844  0.16223407  0.07737591  1.0
  Al  Al20  1  0.16223415  0.32446864  0.92262401  1.0
  Al  Al21  1  0.83776582  0.67553158  0.07737581  1.0
  Al  Al22  1  0.43940460  0.56059557  0.75000237  1.0
  Al  Al23  1  0.56059544  0.43940459  0.24999752  1.0
  Al  Al24  1  0.12119016  0.56059523  0.75000247  1.0
  Al  Al25  1  0.87880999  0.43940481  0.24999754  1.0
  Al  Al26  1  0.43940489  0.87881001  0.75000243  1.0
  Al  Al27  1  0.56059504  0.12118985  0.24999757  1.0
  Al  Al28  1  -0.00000005  -0.00000001  0.74999810  1.0
  Al  Al29  1  0.00000000  -0.00000017  0.25000186  1.0
  Ru  Ru30  1  0.50000033  0.49999960  -0.00000073  1.0
  Ru  Ru31  1  -0.00000075  0.49999962  -0.00000069  1.0
  Ru  Ru32  1  0.50000025  0.49999962  0.50000076  1.0
  Ru  Ru33  1  0.50000042  0.00000074  -0.00000066  1.0
  Ru  Ru34  1  -0.00000070  0.49999957  0.50000069  1.0
  Ru  Ru35  1  0.50000035  0.00000083  0.50000082  1.0
  Ru  Ru36  1  0.00000004  0.00000009  -0.00000015  1.0
  Ru  Ru37  1  0.00000005  0.00000018  0.50000018  1.0