data_MnSiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSiTe2
_chemical_formula_sum   'Mn1 Si1 Te2'
_cell_volume   77.67
_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  0.44  0.44  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.44  0.63  1.0
  Te  Te3  1  0.44  0.0  0.63  1.0

data_MnSiTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   3.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnSiTe2
_chemical_formula_sum   'Mn2 Si2 Te4'
_cell_volume   155.34
_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
  Mn  Mn0  2  0.44  0.0  0.0  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Te  Te2  4  0.22  0.22  0.63  1.0

Mn Si Te Te
Mn Si Te Te 0 1 o o o 0 2 o o - 0 2 o o o 0 2 + o - 0 3 o o - 0 3 o o o 0 3 o + - 0 0 o o + 1 3 - o - 1 3 o o - 1 3 o o o 1 2 o - - 1 2 o o - 1 2 o o o 1 1 o o + 2 3 o o o 2 2 o o + 3 3 o o + 
MnSiTe2 crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a 2-coordinate geometry to one Si(1) and eight equivalent Te(1) atoms. The Mn(1)-Si(1) bond length is 3.06 Å. There are a spread of Mn(1)-Te(1) bond distances ranging from 2.48-3.40 Å. Si(1) is bonded in a 7-coordinate geometry to one Mn(1) and six equivalent Te(1) atoms. There are a spread of Si(1)-Te(1) bond distances ranging from 2.48-2.98 Å. Te(1) is bonded in a 7-coordinate geometry to four equivalent Mn(1) and three equivalent Si(1) atoms.