data_DyTm2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyTm2Fe
_chemical_formula_sum   'Dy1 Tm2 Fe1'
_cell_volume   91.49
_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
  Dy  Dy0  1  0.58  0.58  0.58  1.0
  Tm  Tm2  1  0.36  0.36  0.36  1.0
  Tm  Tm3  1  0.79  0.79  0.79  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0

data_DyTm2Fe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   12.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   DyTm2Fe
_chemical_formula_sum   'Dy3 Tm6 Fe3'
_cell_volume   274.47
_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
  Dy  Dy0  3  0.0  0.0  0.42  1.0
  Tm  Tm1  3  0.0  0.0  0.21  1.0
  Tm  Tm2  3  0.0  0.0  0.64  1.0
  Fe  Fe3  3  0.0  0.0  0.0  1.0

Dy Tm Tm Fe
Tm2DyFe is Heusler structured and crystallizes in the trigonal R3m space group. There are two inequivalent Tm sites. In the first Tm site, Tm(1) is bonded to four equivalent Dy(1) and three equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing TmDy4Fe3 trigonal pyramids. There is one shorter (2.62 Å) and three longer (3.29 Å) Tm(1)-Dy(1) bond lengths. All Tm(1)-Fe(1) bond lengths are 2.95 Å. In the second Tm site, Tm(2) is bonded in a 1-coordinate geometry to four equivalent Dy(1) and four equivalent Fe(1) atoms. There is one shorter (2.62 Å) and three longer (3.29 Å) Tm(2)-Dy(1) bond lengths. There is one shorter (2.62 Å) and three longer (3.29 Å) Tm(2)-Fe(1) bond lengths. Dy(1) is bonded in a 11-coordinate geometry to four equivalent Tm(1), four equivalent Tm(2), and three equivalent Fe(1) atoms. All Dy(1)-Fe(1) bond lengths are 3.13 Å. Fe(1) is bonded in a 10-coordinate geometry to three equivalent Tm(1), four equivalent Tm(2), and three equivalent Dy(1) atoms.