# generated using pymatgen
data_Lu4Al18(NiIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41773846
_cell_length_b   7.41775309
_cell_length_c   9.19311934
_cell_angle_alpha   89.99609778
_cell_angle_beta   89.99607154
_cell_angle_gamma   119.53494083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4Al18(NiIr)3
_chemical_formula_sum   'Lu4 Al18 Ni3 Ir3'
_cell_volume   440.10227129
_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  0.99387219  0.67190043  0.25052561  1.0
  Lu  Lu1  1  0.00612781  0.32809957  0.74947439  1.0
  Lu  Lu2  1  0.67189943  0.99386919  0.25052461  1.0
  Lu  Lu3  1  0.32810057  0.00613081  0.74947539  1.0
  Al  Al4  1  0.12651400  0.12651400  0.24468046  1.0
  Al  Al5  1  0.87348600  0.87348600  0.75531954  1.0
  Al  Al6  1  0.99611770  0.33496867  0.07416177  1.0
  Al  Al7  1  0.00388230  0.66503133  0.92583823  1.0
  Al  Al8  1  0.99918888  0.66471412  0.57542360  1.0
  Al  Al9  1  0.33528588  0.00081112  0.42457640  1.0
  Al  Al10  1  0.00081112  0.33528588  0.42457640  1.0
  Al  Al11  1  0.66471412  0.99918888  0.57542360  1.0
  Al  Al12  1  0.66503133  0.00388230  0.92583823  1.0
  Al  Al13  1  0.33496867  0.99611770  0.07416177  1.0
  Al  Al14  1  0.33366309  0.33366309  0.55241167  1.0
  Al  Al15  1  0.66633691  0.66633691  0.44758833  1.0
  Al  Al16  1  0.66915283  0.66915283  0.04906892  1.0
  Al  Al17  1  0.33084717  0.33084717  0.95093108  1.0
  Al  Al18  1  0.34044288  0.55223788  0.24477957  1.0
  Al  Al19  1  0.65955712  0.44776212  0.75522043  1.0
  Al  Al20  1  0.55223688  0.34044188  0.24477957  1.0
  Al  Al21  1  0.44776312  0.65955812  0.75522043  1.0
  Ni  Ni22  1  0.67217913  0.32781987  0.99999800  1.0
  Ni  Ni23  1  0.32782087  0.67218013  0.00000200  1.0
  Ni  Ni24  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir25  1  0.32795380  0.67204620  0.49999900  1.0
  Ir  Ir26  1  0.67204620  0.32795380  0.50000100  1.0
  Ir  Ir27  1  0.00000000  0.00000000  0.50000000  1.0