data_Be2ZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   3.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnCr
_chemical_formula_sum   'Be2 Zn1 Cr1'
_cell_volume   43.04
_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
  Be  Be0  1  0.17  0.17  0.17  1.0
  Be  Be1  1  0.39  0.39  0.39  1.0
  Zn  Zn3  1  0.78  0.78  0.78  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0

data_Be2ZnCr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Be2ZnCr
_chemical_formula_sum   'Be6 Zn3 Cr3'
_cell_volume   129.12
_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
  Be  Be0  3  0.0  0.0  0.61  1.0
  Be  Be1  3  0.0  0.0  0.83  1.0
  Zn  Zn2  3  0.0  0.0  0.22  1.0
  Cr  Cr3  3  0.0  0.0  0.0  1.0

Be Be Zn Cr
Be Be Zn Cr 0 3 o o o 0 1 o o o 0 1 o o - 0 1 - o o 0 1 o - o 0 2 o - - 0 2 - o - 0 2 - - o 1 3 o o + 1 3 o + o 1 3 + o o 1 2 - o o 1 2 o - o 1 2 o o - 2 3 + o + 2 3 o + + 2 3 + + o 2 3 + + + 
Be2CrZn crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a distorted single-bond geometry to one Be(2), one Cr(1), and three equivalent Zn(1) atoms. The Be(1)-Be(2) bond length is 2.11 Å. The Be(1)-Cr(1) bond length is 1.66 Å. All Be(1)-Zn(1) bond lengths are 2.34 Å. In the second Be site, Be(2) is bonded in a 7-coordinate geometry to one Be(1), three equivalent Cr(1), and three equivalent Zn(1) atoms. All Be(2)-Cr(1) bond lengths are 2.34 Å. All Be(2)-Zn(1) bond lengths are 2.34 Å. Cr(1) is bonded in a distorted single-bond geometry to one Be(1), three equivalent Be(2), and four equivalent Zn(1) atoms. There is one shorter (2.11 Å) and three longer (2.53 Å) Cr(1)-Zn(1) bond lengths. Zn(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), three equivalent Be(2), and four equivalent Cr(1) atoms.