data_Y2ZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2ZnCr
_chemical_formula_sum   'Y2 Zn1 Cr1'
_cell_volume   88.72
_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
  Y  Y1  1  0.54  0.54  0.54  1.0
  Y  Y2  1  0.77  0.77  0.77  1.0
  Zn  Zn3  1  0.31  0.31  0.31  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Y2ZnCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   12.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2ZnCr
_chemical_formula_sum   'Y6 Zn3 Cr3'
_cell_volume   266.16
_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
  Y  Y0  3  0.0  0.0  0.23  1.0
  Y  Y1  3  0.0  0.0  0.46  1.0
  Zn  Zn2  3  0.0  0.0  0.69  1.0
  Cr  Cr3  3  0.0  0.0  0.0  1.0

Y Y Zn Cr
Y2CrZn crystallizes in the trigonal R3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 1-coordinate geometry to four equivalent Y(2), three equivalent Cr(1), and four equivalent Zn(1) atoms. There is one shorter (2.82 Å) and three longer (3.16 Å) Y(1)-Y(2) bond lengths. All Y(1)-Cr(1) bond lengths are 3.28 Å. There is one shorter (2.82 Å) and three longer (3.16 Å) Y(1)-Zn(1) bond lengths. In the second Y site, Y(2) is bonded in a 11-coordinate geometry to four equivalent Y(1), four equivalent Cr(1), and three equivalent Zn(1) atoms. There is one shorter (2.82 Å) and three longer (3.16 Å) Y(2)-Cr(1) bond lengths. All Y(2)-Zn(1) bond lengths are 3.28 Å. Cr(1) is bonded in a 10-coordinate geometry to three equivalent Y(1), four equivalent Y(2), and three equivalent Zn(1) atoms. All Cr(1)-Zn(1) bond lengths are 2.90 Å. Zn(1) is bonded in a 10-coordinate geometry to three equivalent Y(2), four equivalent Y(1), and three equivalent Cr(1) atoms.