data_CaSiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSiTe2
_chemical_formula_sum   'Ca1 Si1 Te2'
_cell_volume   107.64
_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
  Ca  Ca0  1  0.0  0.0  0.67  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.92  0.92  0.76  1.0
  Te  Te3  1  0.92  0.92  0.58  1.0

data_CaSiTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaSiTe2
_chemical_formula_sum   'Ca2 Si2 Te4'
_cell_volume   215.29
_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
  Ca  Ca0  2  0.0  0.0  0.67  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.42  0.5  0.58  1.0
  Te  Te3  2  0.42  0.5  0.76  1.0

Ca Si Te Te
CaSiTe2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaSiTe2 clusters. Ca(1) is bonded in a water-like geometry to one Te(1) and one Te(2) atom. The Ca(1)-Te(1) bond length is 0.80 Å. The Ca(1)-Te(2) bond length is 0.80 Å. Si(1) is bonded in a single-bond geometry to one Te(1) atom. The Si(1)-Te(1) bond length is 1.84 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a single-bond geometry to one Ca(1) and one Si(1) atom. In the second Te site, Te(2) is bonded in a single-bond geometry to one Ca(1) atom.