# generated using pymatgen
data_LuTh3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.58215172
_cell_length_b   7.60191130
_cell_length_c   9.43233258
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.43937598
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuTh3(Al3Ir)6
_chemical_formula_sum   'Lu1 Th3 Al18 Ir6'
_cell_volume   473.46819867
_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  0.32703858  0.00686923  0.75000000  1.0
  Th  Th1  1  0.99478730  0.67176673  0.25000000  1.0
  Th  Th2  1  0.00340159  0.32813978  0.75000000  1.0
  Th  Th3  1  0.67075348  0.99339647  0.25000000  1.0
  Al  Al4  1  0.13695350  0.13373394  0.25000000  1.0
  Al  Al5  1  0.86975602  0.86863779  0.75000000  1.0
  Al  Al6  1  0.00720041  0.33582462  0.07399340  1.0
  Al  Al7  1  0.00077787  0.67048766  0.92152484  1.0
  Al  Al8  1  0.00077787  0.67048766  0.57847516  1.0
  Al  Al9  1  0.33548910  0.00519527  0.43341778  1.0
  Al  Al10  1  0.00720041  0.33582462  0.42600660  1.0
  Al  Al11  1  0.65764589  0.99452517  0.57824807  1.0
  Al  Al12  1  0.65764589  0.99452517  0.92175193  1.0
  Al  Al13  1  0.33548910  0.00519527  0.06658222  1.0
  Al  Al14  1  0.33655732  0.33245803  0.55297386  1.0
  Al  Al15  1  0.66302912  0.66263287  0.45832611  1.0
  Al  Al16  1  0.66302912  0.66263287  0.04167389  1.0
  Al  Al17  1  0.33655732  0.33245803  0.94702614  1.0
  Al  Al18  1  0.34298261  0.54375100  0.25000000  1.0
  Al  Al19  1  0.65486782  0.44947774  0.75000000  1.0
  Al  Al20  1  0.54431285  0.33877898  0.25000000  1.0
  Al  Al21  1  0.45235705  0.66225118  0.75000000  1.0
  Ir  Ir22  1  0.67406008  0.32795149  0.99944510  1.0
  Ir  Ir23  1  0.32701989  0.67193277  0.00004703  1.0
  Ir  Ir24  1  0.32701989  0.67193277  0.49995297  1.0
  Ir  Ir25  1  0.67406008  0.32795149  0.50055490  1.0
  Ir  Ir26  1  0.99961543  0.00059220  0.99943399  1.0
  Ir  Ir27  1  0.99961543  0.00059220  0.50056601  1.0