data_Mn2ZnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   133.48
_cell_angle_beta   126.18
_cell_angle_gamma   73.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnAs
_chemical_formula_sum   'Mn2 Zn1 As1'
_cell_volume   55.04
_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
  Mn  Mn1  1  0.81  0.0  0.95  1.0
  Mn  Mn2  1  0.0  0.07  0.71  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.66  1.0

data_Mn2ZnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.15
_cell_length_c   4.58
_cell_angle_alpha   116.91
_cell_angle_beta   113.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2ZnAs
_chemical_formula_sum   'Mn2 Zn1 As1'
_cell_volume   55.04
_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
  Mn  Mn0  1  0.0  0.95  0.14  1.0
  Mn  Mn1  1  0.93  0.64  0.64  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.66  0.66  1.0

Mn Mn Zn As
MnZnMnAs is BCT5 structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one arsenic;manganese molecule and one MnZn cluster. In the MnZn cluster, Mn(1) is bonded in a single-bond geometry to one Zn(1) atom. The Mn(1)-Zn(1) bond length is 0.76 Å. Zn(1) is bonded in a distorted single-bond geometry to one Mn(1) atom.