data_MgSn3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn3O
_chemical_formula_sum   'Mg1 Sn3 O1'
_cell_volume   114.18
_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  0.43  0.43  0.43  1.0
  Sn  Sn1  1  0.0  0.43  0.0  1.0
  Sn  Sn2  1  0.0  0.0  0.43  1.0
  Sn  Sn3  1  0.43  0.0  0.0  1.0
  O  O4  1  0.0  0.0  0.0  1.0

data_MgSn3O
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgSn3O
_chemical_formula_sum   'Mg3 Sn9 O3'
_cell_volume   342.54
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.43  1.0
  Sn  Sn1  9  0.19  0.38  0.81  1.0
  O  O2  3  0.0  0.0  0.0  1.0

Mg Sn Sn Sn O
MgSn3O crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 9-coordinate geometry to nine equivalent Sn(1) atoms. There are three shorter (2.92 Å) and six longer (3.47 Å) Mg(1)-Sn(1) bond lengths. Sn(1) is bonded in a distorted single-bond geometry to three equivalent Mg(1) and one O(1) atom. The Sn(1)-O(1) bond length is 2.07 Å. O(1) is bonded in a 3-coordinate geometry to three equivalent Sn(1) atoms.