data_MgMnZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   145.44
_cell_angle_beta   130.0
_cell_angle_gamma   62.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnZn2
_chemical_formula_sum   'Mg1 Mn1 Zn2'
_cell_volume   62.82
_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  Mg0  1  0.0  0.0  0.51  1.0
  Mn  Mn1  1  0.0  0.23  0.39  1.0
  Zn  Zn2  1  0.0  0.0  0.01  1.0
  Zn  Zn3  1  0.56  0.0  0.12  1.0

data_MgMnZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.45
_cell_length_c   5.27
_cell_angle_alpha   115.0
_cell_angle_beta   107.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnZn2
_chemical_formula_sum   'Mg1 Mn1 Zn2'
_cell_volume   62.82
_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  Mg0  1  0.49  0.49  0.49  1.0
  Mn  Mn1  1  0.61  0.84  0.84  1.0
  Zn  Zn2  1  0.45  0.88  0.45  1.0
  Zn  Zn3  1  0.99  0.99  0.99  1.0

Mg Mn Zn Zn
MgMnZn2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Mn(1), one Zn(1), and two equivalent Zn(2) atoms. The Mg(1)-Mn(1) bond length is 1.78 Å. The Mg(1)-Zn(1) bond length is 2.61 Å. There is one shorter (1.86 Å) and one longer (2.61 Å) Mg(1)-Zn(2) bond length. Mn(1) is bonded in a 4-coordinate geometry to one Mg(1), one Zn(2), and two equivalent Zn(1) atoms. The Mn(1)-Zn(2) bond length is 2.07 Å. There is one shorter (1.22 Å) and one longer (2.31 Å) Mn(1)-Zn(1) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted single-bond geometry to one Mg(1) and two equivalent Mn(1) atoms. In the second Zn site, Zn(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Mn(1) atom.