data_BeZnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   3.79
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnFe
_chemical_formula_sum   'Be1 Zn1 Fe1'
_cell_volume   38.49
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.34  0.34  0.34  1.0
  Fe  Fe1  1  0.68  0.68  0.68  1.0

data_BeZnFe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeZnFe
_chemical_formula_sum   'Be3 Zn3 Fe3'
_cell_volume   115.47
_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
  Be  Be0  3  0.0  0.0  0.0  1.0
  Zn  Zn1  3  0.0  0.0  0.66  1.0
  Fe  Fe2  3  0.0  0.0  0.32  1.0

Be Zn Fe
BeFeZn crystallizes in the trigonal R3m space group. Be(1) is bonded to four equivalent Fe(1) and three equivalent Zn(1) atoms to form BeZn3Fe4 hexagonal pyramids that share corners with six equivalent Fe(1)Be4Zn4 hexagonal bipyramids, corners with four equivalent Zn(1)Be3Fe4 hexagonal pyramids, corners with six equivalent Be(1)Zn3Fe4 hexagonal pyramids, edges with three equivalent Fe(1)Be4Zn4 hexagonal bipyramids, edges with six equivalent Be(1)Zn3Fe4 hexagonal pyramids, and edges with six equivalent Zn(1)Be3Fe4 hexagonal pyramids. There are three shorter (2.19 Å) and one longer (2.97 Å) Be(1)-Fe(1) bond length. All Be(1)-Zn(1) bond lengths are 2.19 Å. Fe(1) is bonded to four equivalent Be(1) and four equivalent Zn(1) atoms to form distorted FeBe4Zn4 hexagonal bipyramids that share corners with six equivalent Be(1)Zn3Fe4 hexagonal pyramids, corners with six equivalent Zn(1)Be3Fe4 hexagonal pyramids, edges with twelve equivalent Fe(1)Be4Zn4 hexagonal bipyramids, edges with three equivalent Be(1)Zn3Fe4 hexagonal pyramids, and edges with three equivalent Zn(1)Be3Fe4 hexagonal pyramids. There are three shorter (2.19 Å) and one longer (3.16 Å) Fe(1)-Zn(1) bond length. Zn(1) is bonded to three equivalent Be(1) and four equivalent Fe(1) atoms to form distorted ZnBe3Fe4 hexagonal pyramids that share corners with six equivalent Fe(1)Be4Zn4 hexagonal bipyramids, corners with four equivalent Be(1)Zn3Fe4 hexagonal pyramids, corners with six equivalent Zn(1)Be3Fe4 hexagonal pyramids, edges with three equivalent Fe(1)Be4Zn4 hexagonal bipyramids, edges with six equivalent Be(1)Zn3Fe4 hexagonal pyramids, and edges with six equivalent Zn(1)Be3Fe4 hexagonal pyramids.