# generated using pymatgen
data_NdZr3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47137166
_cell_length_b   7.45840630
_cell_length_c   9.28191924
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.70320193
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdZr3(Al3Ir)6
_chemical_formula_sum   'Nd1 Zr3 Al18 Ir6'
_cell_volume   449.26842954
_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
  Nd  Nd0  1  0.32959665  0.00698882  0.75000000  1.0
  Zr  Zr1  1  0.99327775  0.67175808  0.25000000  1.0
  Zr  Zr2  1  0.00692866  0.32968745  0.75000000  1.0
  Zr  Zr3  1  0.67212281  0.99401509  0.25000000  1.0
  Al  Al4  1  0.12265577  0.12473072  0.25000000  1.0
  Al  Al5  1  0.86906533  0.87473690  0.75000000  1.0
  Al  Al6  1  0.99808041  0.33467419  0.07643446  1.0
  Al  Al7  1  0.99803276  0.66192983  0.92895318  1.0
  Al  Al8  1  0.99803276  0.66192983  0.57104682  1.0
  Al  Al9  1  0.33508834  0.99871230  0.41872194  1.0
  Al  Al10  1  0.99808041  0.33467419  0.42356554  1.0
  Al  Al11  1  0.66876356  0.00099314  0.57127703  1.0
  Al  Al12  1  0.66876356  0.00099314  0.92872297  1.0
  Al  Al13  1  0.33508834  0.99871230  0.08127806  1.0
  Al  Al14  1  0.33216519  0.33521720  0.54964510  1.0
  Al  Al15  1  0.66759905  0.66763582  0.44120473  1.0
  Al  Al16  1  0.66759905  0.66763582  0.05879527  1.0
  Al  Al17  1  0.33216519  0.33521720  0.95035490  1.0
  Al  Al18  1  0.33794126  0.55270415  0.25000000  1.0
  Al  Al19  1  0.66915669  0.45506276  0.75000000  1.0
  Al  Al20  1  0.55385930  0.33991244  0.25000000  1.0
  Al  Al21  1  0.44715130  0.65304412  0.75000000  1.0
  Ir  Ir22  1  0.67339095  0.32854353  0.00227242  1.0
  Ir  Ir23  1  0.32807423  0.67264680  0.00245758  1.0
  Ir  Ir24  1  0.32807423  0.67264680  0.49754242  1.0
  Ir  Ir25  1  0.67339095  0.32854353  0.49772758  1.0
  Ir  Ir26  1  0.99792725  0.99832692  0.00262400  1.0
  Ir  Ir27  1  0.99792725  0.99832692  0.49737600  1.0