data_ErAl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErAl2In
_chemical_formula_sum   'Er1 Al2 In1'
_cell_volume   87.7
_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  Er2  1  0.53  0.53  0.53  1.0
  Al  Al0  1  0.29  0.29  0.29  1.0
  Al  Al1  1  0.76  0.76  0.76  1.0
  In  In3  1  0.0  0.0  0.0  1.0

data_ErAl2In
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   12.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ErAl2In
_chemical_formula_sum   'Er3 Al6 In3'
_cell_volume   263.1
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.47  1.0
  Al  Al1  3  0.0  0.0  0.24  1.0
  Al  Al2  3  0.0  0.0  0.71  1.0
  In  In3  3  0.0  0.0  0.0  1.0

Er Al Al In
ErInAl2 is Heusler structured and crystallizes in the trigonal R3m space group. Er(1) is bonded in a 8-coordinate geometry to three equivalent In(1), four equivalent Al(1), and four equivalent Al(2) atoms. All Er(1)-In(1) bond lengths are 3.35 Å. There is one shorter (2.89 Å) and three longer (3.11 Å) Er(1)-Al(1) bond lengths. There is one shorter (2.89 Å) and three longer (3.11 Å) Er(1)-Al(2) bond lengths. In(1) is bonded in a 10-coordinate geometry to three equivalent Er(1), three equivalent Al(1), and four equivalent Al(2) atoms. All In(1)-Al(1) bond lengths are 2.93 Å. There is one shorter (2.89 Å) and three longer (3.11 Å) In(1)-Al(2) bond lengths. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent Er(1) and three equivalent In(1) atoms to form a mixture of distorted edge and corner-sharing AlEr4In3 hexagonal pyramids. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to four equivalent Er(1) and four equivalent In(1) atoms.