# generated using pymatgen
data_ErTh2(InIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64894131
_cell_length_b   7.64894086
_cell_length_c   3.96531317
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.97309695
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTh2(InIr)3
_chemical_formula_sum   'Er1 Th2 In3 Ir3'
_cell_volume   198.91529728
_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  0.40546211  0.40546211  0.00000000  1.0
  Th  Th1  1  0.58857374  0.00185011  0.00000000  1.0
  Th  Th2  1  0.00185011  0.58857374  0.00000000  1.0
  In  In3  1  0.01397564  0.25311526  0.50000000  1.0
  In  In4  1  0.73422792  0.73422792  0.50000000  1.0
  In  In5  1  0.25311526  0.01397564  0.50000000  1.0
  Ir  Ir6  1  0.99248390  0.99248390  0.00000000  1.0
  Ir  Ir7  1  0.33104878  0.67926054  0.50000000  1.0
  Ir  Ir8  1  0.67926054  0.33104878  0.50000000  1.0