data_DyZnIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyZnIn2
_chemical_formula_sum   'Dy1 Zn1 In2'
_cell_volume   94.45
_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  0.61  0.61  0.61  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.81  0.81  0.81  1.0
  In  In2  1  0.42  0.42  0.42  1.0

data_DyZnIn2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   DyZnIn2
_chemical_formula_sum   'Dy3 Zn3 In6'
_cell_volume   283.34
_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  0.39  1.0
  Zn  Zn1  3  0.0  0.0  0.0  1.0
  In  In2  3  0.0  0.0  0.19  1.0
  In  In3  3  0.0  0.0  0.58  1.0

Dy Zn In In
Dy Zn In In 0 3 o o o 0 2 o o o 0 1 + + o 0 1 + o + 0 1 o + + 1 2 - - - 1 3 - o o 1 3 o - o 1 3 o o - 2 3 + o o 2 3 o + o 2 3 o o + 
DyZnIn2 crystallizes in the trigonal R3m space group. Dy(1) is bonded in a distorted linear geometry to three equivalent Zn(1), one In(1), and one In(2) atom. All Dy(1)-Zn(1) bond lengths are 3.02 Å. The Dy(1)-In(1) bond length is 2.41 Å. The Dy(1)-In(2) bond length is 2.41 Å. Zn(1) is bonded in a 7-coordinate geometry to three equivalent Dy(1), one In(1), and three equivalent In(2) atoms. The Zn(1)-In(1) bond length is 2.41 Å. All Zn(1)-In(2) bond lengths are 3.15 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a distorted linear geometry to one Dy(1) and one Zn(1) atom. In the second In site, In(2) is bonded in a distorted single-bond geometry to one Dy(1) and three equivalent Zn(1) atoms.