# generated using pymatgen
data_ErTh(AlIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87810773
_cell_length_b   4.29886638
_cell_length_c   7.96480323
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTh(AlIr)2
_chemical_formula_sum   'Er2 Th2 Al4 Ir4'
_cell_volume   235.50382836
_cell_formula_units_Z   2
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  0.96295397  0.25000000  0.18489863  1.0
  Er  Er1  1  0.46295397  0.25000000  0.31510137  1.0
  Th  Th2  1  0.03345941  0.75000000  0.82460628  1.0
  Th  Th3  1  0.53345941  0.75000000  0.67539372  1.0
  Al  Al4  1  0.86728495  0.25000000  0.55003603  1.0
  Al  Al5  1  0.36728495  0.25000000  0.94996397  1.0
  Al  Al6  1  0.13435812  0.75000000  0.42984402  1.0
  Al  Al7  1  0.63435812  0.75000000  0.07015598  1.0
  Ir  Ir8  1  0.73751753  0.25000000  0.87771262  1.0
  Ir  Ir9  1  0.23751753  0.25000000  0.62228738  1.0
  Ir  Ir10  1  0.26442602  0.75000000  0.11974944  1.0
  Ir  Ir11  1  0.76442602  0.75000000  0.38025056  1.0