data_MgMnZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   5.04
_cell_angle_alpha   99.65
_cell_angle_beta   99.65
_cell_angle_gamma   35.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnZn2
_chemical_formula_sum   'Mg1 Mn1 Zn2'
_cell_volume   63.58
_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  0.0  1.0
  Mn  Mn1  1  0.04  0.0  0.48  1.0
  Zn  Zn2  1  0.54  0.0  0.61  1.0
  Zn  Zn3  1  0.53  0.0  0.35  1.0

data_MgMnZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.7
_cell_length_c   5.04
_cell_angle_alpha   99.65
_cell_angle_beta   90.0
_cell_angle_gamma   107.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnZn2
_chemical_formula_sum   'Mg1 Mn1 Zn2'
_cell_volume   63.58
_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  0.0  1.0
  Mn  Mn1  1  0.0  0.96  0.52  1.0
  Zn  Zn2  1  0.0  0.46  0.39  1.0
  Zn  Zn3  1  0.0  0.47  0.65  1.0

Mg Mn Zn Zn
MgMnZn2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to two equivalent Mg(1), two equivalent Mn(1), one Zn(1), and two equivalent Zn(2) atoms. Both Mg(1)-Mg(1) bond lengths are 2.86 Å. There is one shorter (2.39 Å) and one longer (2.66 Å) Mg(1)-Mn(1) bond length. The Mg(1)-Zn(1) bond length is 2.65 Å. There is one shorter (2.81 Å) and one longer (3.03 Å) Mg(1)-Zn(2) bond length. Mn(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Zn(1), and one Zn(2) atom. The Mn(1)-Zn(1) bond length is 2.35 Å. The Mn(1)-Zn(2) bond length is 2.35 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 1-coordinate geometry to one Mg(1), one Mn(1), and one Zn(2) atom. The Zn(1)-Zn(2) bond length is 1.33 Å. In the second Zn site, Zn(2) is bonded in a distorted single-bond geometry to two equivalent Mg(1), one Mn(1), and one Zn(1) atom.