# generated using pymatgen
data_ErTh3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60367701
_cell_length_b   7.58651117
_cell_length_c   9.44505860
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.44073671
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTh3(Al3Ir)6
_chemical_formula_sum   'Er1 Th3 Al18 Ir6'
_cell_volume   474.48341678
_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
  Er  Er0  1  0.99322208  0.67223796  0.25000000  1.0
  Th  Th1  1  0.00652864  0.32926723  0.75000000  1.0
  Th  Th2  1  0.67157250  0.99628127  0.25000000  1.0
  Th  Th3  1  0.32845912  0.00537697  0.75000000  1.0
  Al  Al4  1  0.13157216  0.13055420  0.25000000  1.0
  Al  Al5  1  0.86616220  0.86326585  0.75000000  1.0
  Al  Al6  1  0.00548667  0.34158205  0.07756423  1.0
  Al  Al7  1  0.99475446  0.66450928  0.93256222  1.0
  Al  Al8  1  0.99475446  0.66450928  0.56743778  1.0
  Al  Al9  1  0.33004172  0.99990822  0.42226972  1.0
  Al  Al10  1  0.00548667  0.34158205  0.42243577  1.0
  Al  Al11  1  0.66415127  0.99300111  0.57399862  1.0
  Al  Al12  1  0.66415127  0.99300111  0.92600138  1.0
  Al  Al13  1  0.33004172  0.99990822  0.07773028  1.0
  Al  Al14  1  0.33737612  0.33703067  0.54214003  1.0
  Al  Al15  1  0.66716727  0.66348469  0.44795014  1.0
  Al  Al16  1  0.66716727  0.66348469  0.05204986  1.0
  Al  Al17  1  0.33737612  0.33703067  0.95785997  1.0
  Al  Al18  1  0.33810668  0.54733262  0.25000000  1.0
  Al  Al19  1  0.66088377  0.45556355  0.75000000  1.0
  Al  Al20  1  0.55000585  0.34459602  0.25000000  1.0
  Al  Al21  1  0.45612434  0.65719586  0.75000000  1.0
  Ir  Ir22  1  0.67185723  0.32591166  0.00024648  1.0
  Ir  Ir23  1  0.32823766  0.67290782  0.99969256  1.0
  Ir  Ir24  1  0.32823766  0.67290782  0.50030744  1.0
  Ir  Ir25  1  0.67185723  0.32591166  0.49975352  1.0
  Ir  Ir26  1  0.99960992  0.00082925  0.00007804  1.0
  Ir  Ir27  1  0.99960992  0.00082925  0.49992196  1.0