data_CaGaTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaTe
_chemical_formula_sum   'Ca1 Ga1 Te1'
_cell_volume   92.61
_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
  Ga  Ga1  1  0.39  0.39  0.39  1.0
  Te  Te2  1  0.59  0.59  0.59  1.0

data_CaGaTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   12.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaGaTe
_chemical_formula_sum   'Ca3 Ga3 Te3'
_cell_volume   277.84
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Ga  Ga1  3  0.0  0.0  0.61  1.0
  Te  Te2  3  0.0  0.0  0.41  1.0

Ca Ga Te
CaGaTe crystallizes in the trigonal R3m space group. Ca(1) is bonded in a hexagonal planar geometry to three equivalent Ga(1) and three equivalent Te(1) atoms. All Ca(1)-Ga(1) bond lengths are 3.01 Å. All Ca(1)-Te(1) bond lengths are 3.08 Å. Ga(1) is bonded to three equivalent Ca(1) and one Te(1) atom to form distorted GaCa3Te tetrahedra that share corners with three equivalent Te(1)Ca3Ga tetrahedra, corners with six equivalent Ga(1)Ca3Te tetrahedra, and edges with three equivalent Te(1)Ca3Ga tetrahedra. The Ga(1)-Te(1) bond length is 2.54 Å. Te(1) is bonded to three equivalent Ca(1) and one Ga(1) atom to form TeCa3Ga tetrahedra that share corners with three equivalent Ga(1)Ca3Te tetrahedra, corners with six equivalent Te(1)Ca3Ga tetrahedra, and edges with three equivalent Ga(1)Ca3Te tetrahedra.