data_MnSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   150.28
_cell_angle_beta   59.96
_cell_angle_gamma   129.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn3
_chemical_formula_sum   'Mn1 Sn3'
_cell_volume   94.91
_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
  Mn  Mn0  1  0.0  0.0  0.39  1.0
  Sn  Sn1  1  0.61  0.0  0.36  1.0
  Sn  Sn2  1  0.61  0.29  0.28  1.0
  Sn  Sn3  1  0.0  0.16  0.97  1.0

data_MnSn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   5.4
_cell_length_c   6.29
_cell_angle_alpha   115.4
_cell_angle_beta   104.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn3
_chemical_formula_sum   'Mn1 Sn3'
_cell_volume   94.91
_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
  Mn  Mn0  1  0.0  0.61  0.61  1.0
  Sn  Sn1  1  0.16  0.19  0.19  1.0
  Sn  Sn2  1  0.39  0.64  0.03  1.0
  Sn  Sn3  1  0.67  0.01  0.4  1.0

Mn Sn Sn Sn
MnSn3 crystallizes in the triclinic P1 space group. Mn(1) is bonded in a 4-coordinate geometry to one Sn(1), one Sn(3), and two equivalent Sn(2) atoms. The Mn(1)-Sn(1) bond length is 2.51 Å. The Mn(1)-Sn(3) bond length is 2.87 Å. There is one shorter (3.00 Å) and one longer (3.05 Å) Mn(1)-Sn(2) bond length. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Mn(1) and one Sn(2) atom. The Sn(1)-Sn(2) bond length is 2.29 Å. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to two equivalent Mn(1), one Sn(1), and two equivalent Sn(3) atoms. There is one shorter (2.31 Å) and one longer (2.70 Å) Sn(2)-Sn(3) bond length. In the third Sn site, Sn(3) is bonded in a 2-coordinate geometry to one Mn(1) and two equivalent Sn(2) atoms.