data_BeZnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnAs2
_chemical_formula_sum   'Be1 Zn1 As2'
_cell_volume   66.39
_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  Be2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.73  1.0
  As  As0  1  0.81  0.0  0.92  1.0
  As  As1  1  0.81  0.0  0.54  1.0

data_BeZnAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnAs2
_chemical_formula_sum   'Be1 Zn1 As2'
_cell_volume   66.39
_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  0.0  0.0  0.73  1.0
  As  As2  1  0.81  0.0  0.54  1.0
  As  As3  1  0.81  0.0  0.92  1.0

Be Zn As As
Be Zn As As 0 2 - o - 1 3 - o o 1 2 - o o 
BeZnAs2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BeZnAs2 cluster. Be(1) is bonded in a single-bond geometry to one As(1) atom. The Be(1)-As(1) bond length is 0.83 Å. Zn(1) is bonded in a distorted bent 150 degrees geometry to one As(1) and one As(2) atom. The Zn(1)-As(1) bond length is 1.53 Å. The Zn(1)-As(2) bond length is 1.53 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 2-coordinate geometry to one Be(1) and one Zn(1) atom. In the second As site, As(2) is bonded in a single-bond geometry to one Zn(1) atom.