data_BeZn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   3.23
_cell_angle_alpha   101.0
_cell_angle_beta   101.0
_cell_angle_gamma   122.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn2Sb
_chemical_formula_sum   'Be1 Zn2 Sb1'
_cell_volume   69.4
_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  0.62  0.69  0.48  1.0
  Zn  Zn3  1  0.62  0.31  0.48  1.0
  Sb  Sb1  1  0.53  0.0  0.0  1.0

data_BeZn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.81
_cell_length_c   5.26
_cell_angle_alpha   112.22
_cell_angle_beta   101.0
_cell_angle_gamma   104.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn2Sb
_chemical_formula_sum   'Be1 Zn2 Sb1'
_cell_volume   69.4
_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  Zn1  1  0.18  0.69  0.32  1.0
  Zn  Zn2  1  0.79  0.31  0.93  1.0
  Sb  Sb3  1  -0.0  0.0  0.53  1.0

Be Zn Zn Sb
BeZn2Sb crystallizes in the triclinic P1 space group. Be(1) is bonded in a 5-coordinate geometry to one Zn(2), two equivalent Zn(1), and two equivalent Sb(1) atoms. The Be(1)-Zn(2) bond length is 2.69 Å. There is one shorter (1.89 Å) and one longer (2.78 Å) Be(1)-Zn(1) bond length. There is one shorter (2.46 Å) and one longer (2.80 Å) Be(1)-Sb(1) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to two equivalent Be(1), one Zn(2), and two equivalent Sb(1) atoms. The Zn(1)-Zn(2) bond length is 2.02 Å. There is one shorter (2.40 Å) and one longer (2.62 Å) Zn(1)-Sb(1) bond length. In the second Zn site, Zn(2) is bonded in a 1-coordinate geometry to one Be(1), one Zn(1), and two equivalent Sb(1) atoms. There is one shorter (1.79 Å) and one longer (2.48 Å) Zn(2)-Sb(1) bond length. Sb(1) is bonded in a 6-coordinate geometry to two equivalent Be(1), two equivalent Zn(1), and two equivalent Zn(2) atoms.