# generated using pymatgen
data_TmZr3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44542951
_cell_length_b   7.44191347
_cell_length_c   9.23222534
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.73053035
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmZr3(Al3Ir)6
_chemical_formula_sum   'Tm1 Zr3 Al18 Ir6'
_cell_volume   444.20584743
_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  0.32879128  0.00646785  0.75000000  1.0
  Zr  Zr1  1  0.99393271  0.67217787  0.25000000  1.0
  Zr  Zr2  1  0.00703269  0.32948101  0.75000000  1.0
  Zr  Zr3  1  0.67110622  0.99348359  0.25000000  1.0
  Al  Al4  1  0.12339502  0.12466695  0.25000000  1.0
  Al  Al5  1  0.87216484  0.87496712  0.75000000  1.0
  Al  Al6  1  0.99855093  0.33464628  0.07583404  1.0
  Al  Al7  1  0.99982840  0.66366132  0.92571810  1.0
  Al  Al8  1  0.99982840  0.66366132  0.57428190  1.0
  Al  Al9  1  0.33494054  0.99919323  0.42212093  1.0
  Al  Al10  1  0.99855093  0.33464628  0.42416596  1.0
  Al  Al11  1  0.66686475  0.00104177  0.57449690  1.0
  Al  Al12  1  0.66686475  0.00104177  0.92550310  1.0
  Al  Al13  1  0.33494054  0.99919323  0.07787907  1.0
  Al  Al14  1  0.33223264  0.33361202  0.55495957  1.0
  Al  Al15  1  0.66750574  0.66739134  0.44272945  1.0
  Al  Al16  1  0.66750574  0.66739134  0.05727055  1.0
  Al  Al17  1  0.33223264  0.33361202  0.94504043  1.0
  Al  Al18  1  0.33819099  0.55200793  0.25000000  1.0
  Al  Al19  1  0.66518928  0.45158137  0.75000000  1.0
  Al  Al20  1  0.55318049  0.33914517  0.25000000  1.0
  Al  Al21  1  0.44740481  0.65737629  0.75000000  1.0
  Ir  Ir22  1  0.67269599  0.32755045  0.00070588  1.0
  Ir  Ir23  1  0.32777153  0.67307610  0.00120945  1.0
  Ir  Ir24  1  0.32777153  0.67307610  0.49879055  1.0
  Ir  Ir25  1  0.67269599  0.32755045  0.49929412  1.0
  Ir  Ir26  1  0.99941433  0.99914643  0.00090162  1.0
  Ir  Ir27  1  0.99941433  0.99914643  0.49909838  1.0