data_MgMnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   144.95
_cell_angle_beta   144.95
_cell_angle_gamma   50.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnAs
_chemical_formula_sum   'Mg1 Mn1 As1'
_cell_volume   45.07
_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
  Mg  Mg1  1  0.0  0.0  0.09  1.0
  Mn  Mn2  1  0.0  0.0  0.97  1.0
  As  As0  1  0.0  0.0  0.28  1.0

data_MgMnAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   115.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgMnAs
_chemical_formula_sum   'Mg2 Mn2 As2'
_cell_volume   90.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  0.0  0.0  0.91  1.0
  Mn  Mn1  2  0.0  0.0  0.03  1.0
  As  As2  2  0.0  0.0  0.72  1.0

Mg Mn As
Mg Mn As 0 1 o o - 0 2 o o o 
MgMnAs is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MgMnAs clusters. Mg(1) is bonded in a linear geometry to one Mn(1) and one As(1) atom. The Mg(1)-Mn(1) bond length is 0.64 Å. The Mg(1)-As(1) bond length is 1.00 Å. Mn(1) is bonded in a single-bond geometry to one Mg(1) atom. As(1) is bonded in a single-bond geometry to one Mg(1) atom.