data_Mg3Mn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54
_cell_length_b   5.59
_cell_length_c   8.63
_cell_angle_alpha   59.54
_cell_angle_beta   39.76
_cell_angle_gamma   80.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Mn2
_chemical_formula_sum   'Mg6 Mn4'
_cell_volume   182.75
_cell_formula_units_Z   2
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  0.53  0.62  0.16  1.0
  Mg  Mg1  1  0.36  0.53  0.16  1.0
  Mg  Mg2  1  0.0  0.06  0.46  1.0
  Mg  Mg3  1  0.84  0.16  0.46  1.0
  Mg  Mg4  1  0.95  0.07  0.81  1.0
  Mg  Mg5  1  0.47  0.54  0.89  1.0
  Mn  Mn6  1  0.21  0.44  0.27  1.0
  Mn  Mn7  1  0.68  0.71  0.27  1.0
  Mn  Mn8  1  0.74  0.24  0.97  1.0
  Mn  Mn9  1  0.16  0.91  0.97  1.0

data_Mg3Mn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.22
_cell_length_b   5.59
_cell_length_c   7.54
_cell_angle_alpha   80.7
_cell_angle_beta   69.74
_cell_angle_gamma   62.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Mn2
_chemical_formula_sum   'Mg6 Mn4'
_cell_volume   182.75
_cell_formula_units_Z   2
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  0.38  0.78  0.31  1.0
  Mg  Mg1  1  0.46  0.43  0.63  1.0
  Mg  Mg2  1  0.47  0.68  0.48  1.0
  Mg  Mg3  1  0.84  0.62  0.7  1.0
  Mg  Mg4  1  0.93  0.88  0.24  1.0
  Mg  Mg5  1  0.94  0.53  0.53  1.0
  Mn  Mn6  1  0.09  0.87  0.88  1.0
  Mn  Mn7  1  0.29  0.98  0.05  1.0
  Mn  Mn8  1  0.56  0.71  0.52  1.0
  Mn  Mn9  1  0.76  0.21  0.3  1.0

Mg Mg Mg Mg Mg Mg Mn Mn Mn Mn
Mg Mg Mg Mg Mg Mg Mn Mn Mn Mn 0 1 o o o 0 7 o o o 1 6 o o o 1 5 o o - 2 3 - o o 4 8 o o o 4 7 o - + 4 9 + - o 5 6 o o + 5 9 o o o 7 8 o + - 7 9 + o - 
Mg3Mn2 crystallizes in the triclinic P1 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to one Mg(2) and one Mn(2) atom. The Mg(1)-Mg(2) bond length is 1.43 Å. The Mg(1)-Mn(2) bond length is 2.23 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Mg(1), one Mg(6), and one Mn(1) atom. The Mg(2)-Mg(6) bond length is 1.69 Å. The Mg(2)-Mn(1) bond length is 0.70 Å. In the third Mg site, Mg(3) is bonded in an L-shaped geometry to one Mg(4) and one Mn(1) atom. The Mg(3)-Mg(4) bond length is 1.27 Å. The Mg(3)-Mn(1) bond length is 1.79 Å. In the fourth Mg site, Mg(4) is bonded in a distorted single-bond geometry to one Mg(3) and one Mn(4) atom. The Mg(4)-Mn(4) bond length is 3.01 Å. In the fifth Mg site, Mg(5) is bonded in a 1-coordinate geometry to one Mn(2), one Mn(3), and one Mn(4) atom. The Mg(5)-Mn(2) bond length is 2.21 Å. The Mg(5)-Mn(3) bond length is 1.65 Å. The Mg(5)-Mn(4) bond length is 2.58 Å. In the sixth Mg site, Mg(6) is bonded in a 4-coordinate geometry to one Mg(2), one Mn(1), one Mn(3), and one Mn(4) atom. The Mg(6)-Mn(1) bond length is 1.87 Å. The Mg(6)-Mn(3) bond length is 2.62 Å. The Mg(6)-Mn(4) bond length is 2.79 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted single-bond geometry to one Mg(2), one Mg(3), and one Mg(6) atom. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(5), and one Mn(4) atom. The Mn(2)-Mn(4) bond length is 2.19 Å. In the third Mn site, Mn(3) is bonded in a distorted single-bond geometry to one Mg(5) and one Mg(6) atom. In the fourth Mn site, Mn(4) is bonded in a 4-coordinate geometry to one Mg(4), one Mg(5), one Mg(6), and one Mn(2) atom.