# generated using pymatgen
data_Er2(ThIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45308161
_cell_length_b   8.33173567
_cell_length_c   8.33125468
_cell_angle_alpha   120.00191808
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2(ThIr)3
_chemical_formula_sum   'Er4 Th6 Ir6'
_cell_volume   387.91385256
_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  0.50000589  0.33335462  0.66671872  1.0
  Er  Er1  1  0.50000589  0.66663489  0.33328128  1.0
  Er  Er2  1  0.00000589  0.66664538  0.33328128  1.0
  Er  Er3  1  0.00000589  0.33336511  0.66671872  1.0
  Th  Th4  1  0.75000158  0.25735344  0.00000000  1.0
  Th  Th5  1  0.75000083  0.74260449  0.74259151  1.0
  Th  Th6  1  0.75000083  0.00001398  0.25740849  1.0
  Th  Th7  1  0.25000158  0.74264656  1.00000000  1.0
  Th  Th8  1  0.25000083  0.25739551  0.25740849  1.0
  Th  Th9  1  0.25000083  0.99998602  0.74259151  1.0
  Ir  Ir10  1  0.74999179  0.61721601  0.00000000  1.0
  Ir  Ir11  1  0.74999759  0.38279651  0.38280142  1.0
  Ir  Ir12  1  0.74999759  0.99999609  0.61719858  1.0
  Ir  Ir13  1  0.24999179  0.38278399  1.00000000  1.0
  Ir  Ir14  1  0.24999759  0.61720349  0.61719858  1.0
  Ir  Ir15  1  0.24999759  0.00000391  0.38280142  1.0