# generated using pymatgen
data_LaZr3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48664657
_cell_length_b   7.46982226
_cell_length_c   9.30339487
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.68755394
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZr3(Al3Ir)6
_chemical_formula_sum   'La1 Zr3 Al18 Ir6'
_cell_volume   451.98959008
_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
  La  La0  1  0.32986679  0.00704750  0.75000000  1.0
  Zr  Zr1  1  0.99361135  0.67184853  0.25000000  1.0
  Zr  Zr2  1  0.00687790  0.32992385  0.75000000  1.0
  Zr  Zr3  1  0.67209149  0.99449157  0.25000000  1.0
  Al  Al4  1  0.12185923  0.12456968  0.25000000  1.0
  Al  Al5  1  0.86676124  0.87445673  0.75000000  1.0
  Al  Al6  1  0.99770302  0.33480302  0.07664178  1.0
  Al  Al7  1  0.99722181  0.66105444  0.93049542  1.0
  Al  Al8  1  0.99722181  0.66105444  0.56950458  1.0
  Al  Al9  1  0.33518332  0.99861915  0.41720866  1.0
  Al  Al10  1  0.99770302  0.33480302  0.42335822  1.0
  Al  Al11  1  0.66973166  0.00092593  0.56989078  1.0
  Al  Al12  1  0.66973166  0.00092593  0.93010922  1.0
  Al  Al13  1  0.33518332  0.99861915  0.08279134  1.0
  Al  Al14  1  0.33197475  0.33582122  0.54656172  1.0
  Al  Al15  1  0.66794035  0.66799411  0.44005594  1.0
  Al  Al16  1  0.66794035  0.66799411  0.05994406  1.0
  Al  Al17  1  0.33197475  0.33582122  0.95343828  1.0
  Al  Al18  1  0.33765134  0.55302792  0.25000000  1.0
  Al  Al19  1  0.67199272  0.45730762  0.75000000  1.0
  Al  Al20  1  0.55452236  0.34037222  0.25000000  1.0
  Al  Al21  1  0.44670611  0.64933892  0.75000000  1.0
  Ir  Ir22  1  0.67337647  0.32883323  0.00274463  1.0
  Ir  Ir23  1  0.32837259  0.67279777  0.00292740  1.0
  Ir  Ir24  1  0.32837259  0.67279777  0.49707260  1.0
  Ir  Ir25  1  0.67337647  0.32883323  0.49725537  1.0
  Ir  Ir26  1  0.99752626  0.99795687  0.00311084  1.0
  Ir  Ir27  1  0.99752626  0.99795687  0.49688916  1.0