# generated using pymatgen
data_LuZr3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44251715
_cell_length_b   7.44061644
_cell_length_c   9.22404407
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.72395619
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuZr3(Al3Ir)6
_chemical_formula_sum   'Lu1 Zr3 Al18 Ir6'
_cell_volume   443.59034817
_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
  Lu  Lu0  1  0.32831283  0.00651763  0.75000000  1.0
  Zr  Zr1  1  0.99411260  0.67257033  0.25000000  1.0
  Zr  Zr2  1  0.00705406  0.32922540  0.75000000  1.0
  Zr  Zr3  1  0.67115170  0.99330263  0.25000000  1.0
  Al  Al4  1  0.12383373  0.12493313  0.25000000  1.0
  Al  Al5  1  0.87215287  0.87471688  0.75000000  1.0
  Al  Al6  1  0.99853236  0.33464268  0.07594887  1.0
  Al  Al7  1  0.00018854  0.66376857  0.92512803  1.0
  Al  Al8  1  0.00018854  0.66376857  0.57487197  1.0
  Al  Al9  1  0.33498800  0.99922699  0.42236773  1.0
  Al  Al10  1  0.99853236  0.33464268  0.42405113  1.0
  Al  Al11  1  0.66651683  0.00121213  0.57507172  1.0
  Al  Al12  1  0.66651683  0.00121213  0.92492828  1.0
  Al  Al13  1  0.33498800  0.99922699  0.07763227  1.0
  Al  Al14  1  0.33215038  0.33335744  0.55538166  1.0
  Al  Al15  1  0.66761456  0.66746134  0.44313735  1.0
  Al  Al16  1  0.66761456  0.66746134  0.05686265  1.0
  Al  Al17  1  0.33215038  0.33335744  0.94461834  1.0
  Al  Al18  1  0.33836286  0.55190970  0.25000000  1.0
  Al  Al19  1  0.66466691  0.45093955  0.75000000  1.0
  Al  Al20  1  0.55337052  0.33928185  0.25000000  1.0
  Al  Al21  1  0.44704146  0.65764597  0.75000000  1.0
  Ir  Ir22  1  0.67265019  0.32741391  0.00054527  1.0
  Ir  Ir23  1  0.32773368  0.67325467  0.00111586  1.0
  Ir  Ir24  1  0.32773368  0.67325467  0.49888414  1.0
  Ir  Ir25  1  0.67265019  0.32741391  0.49945473  1.0
  Ir  Ir26  1  0.99959469  0.99913972  0.00069145  1.0
  Ir  Ir27  1  0.99959469  0.99913972  0.49930855  1.0