# generated using pymatgen
data_Tm7Th(AlIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.45454979
_cell_length_b   9.45455027
_cell_length_c   9.42307946
_cell_angle_alpha   60.11005654
_cell_angle_beta   60.11005486
_cell_angle_gamma   60.37714767
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm7Th(AlIr)2
_chemical_formula_sum   'Tm14 Th2 Al4 Ir4'
_cell_volume   598.28312816
_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  0.60641921  0.18862456  0.60247861  1.0
  Tm  Tm1  1  0.18862456  0.60641921  0.60247861  1.0
  Tm  Tm2  1  0.05858391  0.44460282  0.44093328  1.0
  Tm  Tm3  1  0.44460282  0.05858391  0.05588099  1.0
  Tm  Tm4  1  0.44460282  0.05858391  0.44093328  1.0
  Tm  Tm5  1  0.05858391  0.44460282  0.05588099  1.0
  Tm  Tm6  1  0.43856568  0.43856568  0.06143432  1.0
  Tm  Tm7  1  0.05643929  0.05643929  0.44356071  1.0
  Tm  Tm8  1  0.18679617  0.81553964  0.81256461  1.0
  Tm  Tm9  1  0.81553964  0.18679617  0.18509858  1.0
  Tm  Tm10  1  0.81553964  0.18679617  0.81256461  1.0
  Tm  Tm11  1  0.18679617  0.81553964  0.18509858  1.0
  Tm  Tm12  1  0.81410719  0.81410719  0.18589281  1.0
  Tm  Tm13  1  0.19453284  0.19453284  0.80546716  1.0
  Th  Th14  1  0.59781024  0.59781024  0.60412523  1.0
  Th  Th15  1  0.59781024  0.59781024  0.20025530  1.0
  Al  Al16  1  0.82972061  0.82972061  0.82790115  1.0
  Al  Al17  1  0.82972061  0.82972061  0.51265562  1.0
  Al  Al18  1  0.82971968  0.51367795  0.82830018  1.0
  Al  Al19  1  0.51367795  0.82971968  0.82830018  1.0
  Ir  Ir20  1  0.38791317  0.38791317  0.39989928  1.0
  Ir  Ir21  1  0.38791317  0.38791317  0.82427437  1.0
  Ir  Ir22  1  0.39025323  0.82572525  0.39201076  1.0
  Ir  Ir23  1  0.82572525  0.39025323  0.39201076  1.0