data_Mn2GeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GeAs
_chemical_formula_sum   'Mn2 Ge1 As1'
_cell_volume   60.93
_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  0.45  0.79  0.47  1.0
  Mn  Mn3  1  0.45  0.21  0.47  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.89  0.0  0.0  1.0

data_Mn2GeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   102.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2GeAs
_chemical_formula_sum   'Mn2 Ge1 As1'
_cell_volume   60.93
_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  0.47  0.45  0.21  1.0
  Mn  Mn1  1  0.47  0.45  0.79  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  As  As3  1  -0.0  0.89  0.0  1.0

Mn Mn Ge As
Mn2GeAs crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Ge(1), and two equivalent As(1) atoms. Both Mn(1)-Mn(1) bond lengths are 2.95 Å. There is one shorter (1.96 Å) and one longer (2.63 Å) Mn(1)-Mn(2) bond length. There is one shorter (2.82 Å) and one longer (2.90 Å) Mn(1)-Ge(1) bond length. There is one shorter (2.51 Å) and one longer (2.60 Å) Mn(1)-As(1) bond length. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Ge(1), and two equivalent As(1) atoms. Both Mn(2)-Mn(2) bond lengths are 2.95 Å. There is one shorter (2.51 Å) and one longer (2.60 Å) Mn(2)-Ge(1) bond length. There is one shorter (2.82 Å) and one longer (2.90 Å) Mn(2)-As(1) bond length. Ge(1) is bonded in a single-bond geometry to two equivalent Mn(1), two equivalent Mn(2), and one As(1) atom. The Ge(1)-As(1) bond length is 0.49 Å. As(1) is bonded in a distorted single-bond geometry to two equivalent Mn(1), two equivalent Mn(2), and one Ge(1) atom.