data_Ca2BiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2BiTe
_chemical_formula_sum   'Ca2 Bi1 Te1'
_cell_volume   123.04
_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  Ca1  1  0.87  0.0  0.87  1.0
  Ca  Ca2  1  0.0  0.87  0.87  1.0
  Bi  Bi0  1  0.87  0.87  0.0  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Ca2BiTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   3.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2BiTe
_chemical_formula_sum   'Ca4 Bi2 Te2'
_cell_volume   246.07
_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  4  0.43  0.43  0.87  1.0
  Bi  Bi1  2  0.37  0.5  0.0  1.0
  Te  Te2  2  0.0  0.0  0.0  1.0

Ca Ca Bi Te
Ca Ca Bi Te 0 2 o - + 0 1 + - o 0 3 + o + 1 2 - o + 1 3 o + + 2 3 + + o 
Ca2BiTe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ca2BiTe clusters. Ca(1) is bonded in a 2-coordinate geometry to one Bi(1) and one Te(1) atom. The Ca(1)-Bi(1) bond length is 0.90 Å. The Ca(1)-Te(1) bond length is 0.90 Å. Bi(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Te(1) atom. The Bi(1)-Te(1) bond length is 1.07 Å. Te(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Bi(1) atom.