data_MnAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77
_cell_length_b   7.77
_cell_length_c   7.77
_cell_angle_alpha   24.38
_cell_angle_beta   24.38
_cell_angle_gamma   24.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Pd
_chemical_formula_sum   'Mn1 As2 Pd1'
_cell_volume   70.37
_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  Mn2  1  0.0  0.0  0.21  1.0
  As  As0  1  0.0  0.0  0.41  1.0
  As  As1  1  0.0  0.0  0.22  1.0
  Pd  Pd3  1  0.0  0.0  0.7  1.0

data_MnAs2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   3.28
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   104.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAs2Pd
_chemical_formula_sum   'Mn2 As4 Pd2'
_cell_volume   140.74
_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
  Mn  Mn0  2  -0.0  0.0  0.79  1.0
  As  As1  2  -0.0  0.0  0.78  1.0
  As  As2  2  0.0  0.0  0.59  1.0
  Pd  Pd3  2  0.0  0.0  0.3  1.0

Mn As As Pd
Mn As As Pd 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 
MnPdAs2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MnPdAs2 clusters. Mn(1) is bonded in a single-bond geometry to one As(2) atom. The Mn(1)-As(2) bond length is 0.11 Å. Pd(1) is bonded in a single-bond geometry to one As(1) atom. The Pd(1)-As(1) bond length is 2.20 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a linear geometry to one Pd(1) and one As(2) atom. The As(1)-As(2) bond length is 1.49 Å. In the second As site, As(2) is bonded in a single-bond geometry to one Mn(1) and one As(1) atom.