data_CaTa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.01
_cell_length_b   10.01
_cell_length_c   10.01
_cell_angle_alpha   18.79
_cell_angle_beta   18.79
_cell_angle_gamma   18.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTa2Te
_chemical_formula_sum   'Ca1 Ta2 Te1'
_cell_volume   90.81
_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  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.07  1.0
  Ta  Ta2  1  0.0  0.0  0.42  1.0
  Te  Te3  1  0.0  0.0  0.74  1.0

data_CaTa2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.66
_cell_length_b   3.27
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   100.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTa2Te
_chemical_formula_sum   'Ca2 Ta4 Te2'
_cell_volume   181.62
_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  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.58  1.0
  Ta  Ta2  2  0.0  0.0  0.93  1.0
  Te  Te3  2  0.0  0.0  0.26  1.0

Ca Ta Ta Te
Ca Ta Ta Te 0 1 o o o 0 3 o o - 1 2 o o o 1 3 o o - 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
CaTa2Te crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaTa2Te clusters. Ca(1) is bonded in a single-bond geometry to one Ta(1) and one Te(1) atom. The Ca(1)-Ta(1) bond length is 0.66 Å. The Ca(1)-Te(1) bond length is 2.59 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Ca(1) atom. In the second Ta site, Ta(2) is bonded in a distorted single-bond geometry to one Te(1) atom. The Ta(2)-Te(1) bond length is 3.25 Å. Te(1) is bonded in a distorted single-bond geometry to one Ca(1) and one Ta(2) atom.