data_MgMnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMnSn2
_chemical_formula_sum   'Mg1 Mn1 Sn2'
_cell_volume   85.76
_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  0.0  0.48  1.0
  Sn  Sn2  1  0.75  0.75  0.03  1.0
  Sn  Sn3  1  0.75  0.75  0.93  1.0

data_MgMnSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgMnSn2
_chemical_formula_sum   'Mg2 Mn2 Sn4'
_cell_volume   171.52
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  2  0.0  0.0  0.48  1.0
  Sn  Sn2  2  0.25  0.5  0.03  1.0
  Sn  Sn3  2  0.25  0.5  0.93  1.0

Mg Mn Sn Sn
MgMnSn2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 2-coordinate geometry to one Mn(1), one Sn(1), and one Sn(2) atom. The Mg(1)-Mn(1) bond length is 3.35 Å. The Mg(1)-Sn(1) bond length is 1.24 Å. The Mg(1)-Sn(2) bond length is 1.31 Å. Mn(1) is bonded in a 7-coordinate geometry to one Mg(1), four equivalent Mn(1), one Sn(1), and one Sn(2) atom. All Mn(1)-Mn(1) bond lengths are 3.51 Å. The Mn(1)-Sn(1) bond length is 3.35 Å. The Mn(1)-Sn(2) bond length is 3.35 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted L-shaped geometry to one Mg(1), one Mn(1), and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 0.72 Å. In the second Sn site, Sn(2) is bonded in a 2-coordinate geometry to one Mg(1), one Mn(1), and one Sn(1) atom.