data_Dy2AsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Dy2AsRu
_chemical_formula_sum   'Dy2 As1 Ru1'
_cell_volume   83.92
_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  Dy1  1  0.74  0.74  0.74  1.0
  Dy  Dy2  1  0.21  0.21  0.21  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.47  0.47  0.47  1.0

data_Dy2AsRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   12.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Dy2AsRu
_chemical_formula_sum   'Dy6 As3 Ru3'
_cell_volume   251.76
_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  0.26  1.0
  Dy  Dy1  3  0.0  0.0  0.79  1.0
  As  As2  3  0.0  0.0  0.0  1.0
  Ru  Ru3  3  0.0  0.0  0.53  1.0

Dy Dy As Ru
Dy Dy As Ru 0 3 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 2 o + + 0 2 + o + 0 2 + + o 0 2 + + + 0 1 o + + 0 1 + o + 0 1 + + o 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 1 3 - o o 1 3 o - o 1 3 o o - 1 3 o o o 2 3 - o o 2 3 o - o 2 3 o o - 
Dy2RuAs is Heusler structured and crystallizes in the trigonal R3m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a body-centered cubic geometry to four equivalent Ru(1) and four equivalent As(1) atoms. There are three shorter (2.96 Å) and one longer (3.16 Å) Dy(1)-Ru(1) bond length. There are three shorter (2.96 Å) and one longer (3.16 Å) Dy(1)-As(1) bond length. In the second Dy site, Dy(2) is bonded in a distorted body-centered cubic geometry to four equivalent Ru(1) and four equivalent As(1) atoms. There are three shorter (2.96 Å) and one longer (3.16 Å) Dy(2)-Ru(1) bond length. There is one shorter (2.56 Å) and three longer (3.19 Å) Dy(2)-As(1) bond lengths. Ru(1) is bonded in a body-centered cubic geometry to four equivalent Dy(1) and four equivalent Dy(2) atoms. As(1) is bonded in a distorted body-centered cubic geometry to four equivalent Dy(1) and four equivalent Dy(2) atoms.