# generated using pymatgen
data_Tm3Al12NiRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71125202
_cell_length_b   8.71124941
_cell_length_c   9.38039111
_cell_angle_alpha   90.36483082
_cell_angle_beta   89.63517030
_cell_angle_gamma   120.31344638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Al12NiRu3
_chemical_formula_sum   'Tm6 Al24 Ni2 Ru6'
_cell_volume   614.49804072
_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  0.19729878  0.38815321  0.24995996  1.0
  Tm  Tm1  1  0.80270122  0.61184679  0.75004004  1.0
  Tm  Tm2  1  0.61184679  0.80270122  0.24995996  1.0
  Tm  Tm3  1  0.38815321  0.19729878  0.75004004  1.0
  Tm  Tm4  1  0.19259832  0.80740168  0.25139940  1.0
  Tm  Tm5  1  0.80740168  0.19259832  0.74860060  1.0
  Al  Al6  1  0.33215243  0.66784757  0.01865588  1.0
  Al  Al7  1  0.66784757  0.33215243  0.98134412  1.0
  Al  Al8  1  0.66672978  0.33327022  0.51655845  1.0
  Al  Al9  1  0.33327022  0.66672978  0.48344155  1.0
  Al  Al10  1  0.16220182  0.32643793  0.57817316  1.0
  Al  Al11  1  0.83779818  0.67356207  0.42182684  1.0
  Al  Al12  1  0.67356207  0.83779818  0.57817316  1.0
  Al  Al13  1  0.83649063  0.67277239  0.07722851  1.0
  Al  Al14  1  0.32643793  0.16220182  0.42182684  1.0
  Al  Al15  1  0.16350937  0.32722761  0.92277149  1.0
  Al  Al16  1  0.16263964  0.83736036  0.57892127  1.0
  Al  Al17  1  0.32722761  0.16350937  0.07722851  1.0
  Al  Al18  1  0.83736036  0.16263964  0.42107873  1.0
  Al  Al19  1  0.67277239  0.83649063  0.92277149  1.0
  Al  Al20  1  0.83722430  0.16277570  0.07660599  1.0
  Al  Al21  1  0.16277570  0.83722430  0.92339401  1.0
  Al  Al22  1  0.56078209  0.11976615  0.24556376  1.0
  Al  Al23  1  0.43921791  0.88023385  0.75443624  1.0
  Al  Al24  1  0.88023385  0.43921791  0.24556376  1.0
  Al  Al25  1  0.11976615  0.56078209  0.75443624  1.0
  Al  Al26  1  0.56237153  0.43762847  0.24796667  1.0
  Al  Al27  1  0.43762847  0.56237153  0.75203333  1.0
  Al  Al28  1  0.00056012  0.99943988  0.25010522  1.0
  Al  Al29  1  0.99943988  0.00056012  0.74989478  1.0
  Ni  Ni30  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni31  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru32  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru33  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru34  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru35  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru36  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru37  1  0.00000000  0.00000000  0.50000000  1.0