# generated using pymatgen
data_ErThIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30739471
_cell_length_b   5.30739511
_cell_length_c   17.83512059
_cell_angle_alpha   98.55685115
_cell_angle_beta   98.55685270
_cell_angle_gamma   59.99999944
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErThIr6
_chemical_formula_sum   'Er3 Th3 Ir18'
_cell_volume   428.61086687
_cell_formula_units_Z   3
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  0.42920533  0.42920533  0.28761798  1.0
  Er  Er1  1  0.93164000  0.93164000  0.79492101  1.0
  Er  Er2  1  0.07038061  0.07038061  0.21114182  1.0
  Th  Th3  1  0.57002419  0.57002419  0.71007056  1.0
  Th  Th4  1  0.00102110  0.00102110  0.00306230  1.0
  Th  Th5  1  0.49807379  0.49807379  0.49421936  1.0
  Ir  Ir6  1  0.45812829  0.95807155  0.37427038  1.0
  Ir  Ir7  1  0.96027545  0.45866426  0.87760398  1.0
  Ir  Ir8  1  0.95807155  0.95807155  0.37427038  1.0
  Ir  Ir9  1  0.45866426  0.45866426  0.87760398  1.0
  Ir  Ir10  1  0.95807155  0.45812829  0.37427038  1.0
  Ir  Ir11  1  0.45866426  0.96027545  0.87760398  1.0
  Ir  Ir12  1  0.04143441  0.54194898  0.12533137  1.0
  Ir  Ir13  1  0.54048110  0.04083527  0.62215164  1.0
  Ir  Ir14  1  0.54194898  0.54194898  0.12533137  1.0
  Ir  Ir15  1  0.04083527  0.04083527  0.62215164  1.0
  Ir  Ir16  1  0.54194898  0.04143441  0.12533137  1.0
  Ir  Ir17  1  0.04083527  0.54048110  0.62215164  1.0
  Ir  Ir18  1  0.33401649  0.33401649  0.00204946  1.0
  Ir  Ir19  1  0.83308109  0.83308109  0.49924426  1.0
  Ir  Ir20  1  0.16612180  0.16612180  0.49836639  1.0
  Ir  Ir21  1  0.66679150  0.66679150  0.00037351  1.0
  Ir  Ir22  1  0.74998357  0.74998357  0.24995272  1.0
  Ir  Ir23  1  0.25030516  0.25030516  0.75091549  1.0