data_ErCdFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErCdFe2
_chemical_formula_sum   'Er1 Cd1 Fe2'
_cell_volume   66.32
_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  Er1  1  0.21  0.21  0.21  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.61  0.61  0.61  1.0
  Fe  Fe3  1  0.82  0.82  0.82  1.0

data_ErCdFe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ErCdFe2
_chemical_formula_sum   'Er3 Cd3 Fe6'
_cell_volume   198.96
_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  0.79  1.0
  Cd  Cd1  3  0.0  0.0  0.0  1.0
  Fe  Fe2  3  0.0  0.0  0.18  1.0
  Fe  Fe3  3  0.0  0.0  0.39  1.0

Er Cd Fe Fe
ErFe2Cd crystallizes in the trigonal R3m space group. Er(1) is bonded in a 10-coordinate geometry to three equivalent Fe(1), three equivalent Fe(2), and four equivalent Cd(1) atoms. All Er(1)-Fe(1) bond lengths are 2.71 Å. All Er(1)-Fe(2) bond lengths are 2.71 Å. There is one shorter (2.37 Å) and three longer (2.95 Å) Er(1)-Cd(1) bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to three equivalent Er(1), one Fe(2), and three equivalent Cd(1) atoms. The Fe(1)-Fe(2) bond length is 2.37 Å. All Fe(1)-Cd(1) bond lengths are 2.71 Å. In the second Fe site, Fe(2) is bonded in a 1-coordinate geometry to three equivalent Er(1), one Fe(1), and one Cd(1) atom. The Fe(2)-Cd(1) bond length is 2.01 Å. Cd(1) is bonded in a distorted linear geometry to four equivalent Er(1), one Fe(2), and three equivalent Fe(1) atoms.