# generated using pymatgen
data_Tm4Al18(NiRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43827131
_cell_length_b   7.43826560
_cell_length_c   9.28827140
_cell_angle_alpha   89.82020683
_cell_angle_beta   89.82024259
_cell_angle_gamma   119.90866347
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm4Al18(NiRu)3
_chemical_formula_sum   'Tm4 Al18 Ni3 Ru3'
_cell_volume   445.45072756
_cell_formula_units_Z   1
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  0.99651803  0.66836255  0.25069105  1.0
  Tm  Tm1  1  0.00764976  0.33494263  0.74953330  1.0
  Tm  Tm2  1  0.66505637  0.99235024  0.25046670  1.0
  Tm  Tm3  1  0.33163745  0.00348097  0.74930895  1.0
  Al  Al4  1  0.12018046  0.11942579  0.24893297  1.0
  Al  Al5  1  0.88057421  0.87981954  0.75106703  1.0
  Al  Al6  1  0.99517482  0.33229654  0.07312870  1.0
  Al  Al7  1  0.99795541  0.66679277  0.92714239  1.0
  Al  Al8  1  0.99943442  0.66674229  0.57350806  1.0
  Al  Al9  1  0.33325771  0.00056558  0.42649194  1.0
  Al  Al10  1  0.00081777  0.33153050  0.42612480  1.0
  Al  Al11  1  0.66846950  0.99918223  0.57387520  1.0
  Al  Al12  1  0.66770346  0.00482518  0.92687130  1.0
  Al  Al13  1  0.33320723  0.00204459  0.07285761  1.0
  Al  Al14  1  0.33213778  0.33124790  0.54425036  1.0
  Al  Al15  1  0.66875210  0.66786222  0.45574964  1.0
  Al  Al16  1  0.66816139  0.66967499  0.04434456  1.0
  Al  Al17  1  0.33032501  0.33183861  0.95565544  1.0
  Al  Al18  1  0.33771405  0.54688152  0.24912700  1.0
  Al  Al19  1  0.66344728  0.44982864  0.75277852  1.0
  Al  Al20  1  0.55017136  0.33655272  0.24722148  1.0
  Al  Al21  1  0.45311848  0.66228595  0.75087300  1.0
  Ni  Ni22  1  0.67122410  0.32877490  0.00000000  1.0
  Ni  Ni23  1  0.99949272  0.00050728  0.00000000  1.0
  Ni  Ni24  1  0.00043373  0.99956827  0.50000000  1.0
  Ru  Ru25  1  0.32647969  0.67352031  1.00000000  1.0
  Ru  Ru26  1  0.32808431  0.67191669  0.50000000  1.0
  Ru  Ru27  1  0.67282141  0.32717959  0.50000000  1.0