data_MnSi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   4.84
_cell_length_c   4.04
_cell_angle_alpha   90.0
_cell_angle_beta   96.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSi2Te
_chemical_formula_sum   'Mn1 Si2 Te1'
_cell_volume   72.45
_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  0.0  1.0
  Si  Si1  1  0.4  0.42  0.21  1.0
  Si  Si2  1  0.87  0.42  0.81  1.0
  Te  Te3  1  0.63  0.0  0.01  1.0

data_MnSi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.04
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSi2Te
_chemical_formula_sum   'Mn1 Si2 Te1'
_cell_volume   72.45
_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  0.0  1.0
  Si  Si1  1  0.13  0.19  0.58  1.0
  Si  Si2  1  0.6  0.79  0.58  1.0
  Te  Te3  1  0.37  0.99  0.0  1.0

Mn Si Si Te
MnSi2Te crystallizes in the triclinic P1 space group. Mn(1) is bonded in a distorted single-bond geometry to two equivalent Si(1), two equivalent Si(2), and one Te(1) atom. There is one shorter (2.60 Å) and one longer (3.23 Å) Mn(1)-Si(1) bond length. There is one shorter (2.22 Å) and one longer (2.94 Å) Mn(1)-Si(2) bond length. The Mn(1)-Te(1) bond length is 1.38 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 7-coordinate geometry to two equivalent Mn(1), three equivalent Si(2), and two equivalent Te(1) atoms. There are a spread of Si(1)-Si(2) bond distances ranging from 2.40-2.82 Å. There is one shorter (2.40 Å) and one longer (3.07 Å) Si(1)-Te(1) bond length. In the second Si site, Si(2) is bonded in a 7-coordinate geometry to two equivalent Mn(1), three equivalent Si(1), and two equivalent Te(1) atoms. There is one shorter (2.40 Å) and one longer (3.07 Å) Si(2)-Te(1) bond length. Te(1) is bonded in a distorted single-bond geometry to one Mn(1), two equivalent Si(1), and two equivalent Si(2) atoms.