data_CaZnGeTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnGeTe
_chemical_formula_sum   'Ca1 Zn1 Ge1 Te1'
_cell_volume   99.13
_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
  Zn  Zn3  1  0.51  0.51  0.51  1.0
  Ge  Ge1  1  0.67  0.67  0.67  1.0
  Te  Te2  1  0.84  0.84  0.84  1.0

data_CaZnGeTe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaZnGeTe
_chemical_formula_sum   'Ca3 Zn3 Ge3 Te3'
_cell_volume   297.4
_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
  Zn  Zn1  3  0.0  0.0  0.49  1.0
  Ge  Ge2  3  0.0  0.0  0.33  1.0
  Te  Te3  3  0.0  0.0  0.16  1.0

Ca Zn Ge Te
CaZnGeTe crystallizes in the trigonal R3m space group. Ca(1) is bonded to three equivalent Ge(1) and one Te(1) atom to form distorted CaGe3Te trigonal pyramids that share  a cornercorner with one Ge(1)Ca3ZnTe trigonal bipyramid, corners with six equivalent Ca(1)Ge3Te trigonal pyramids, and edges with three equivalent Zn(1)GeTe3 trigonal pyramids. All Ca(1)-Ge(1) bond lengths are 3.00 Å. The Ca(1)-Te(1) bond length is 2.08 Å. Zn(1) is bonded to one Ge(1) and three equivalent Te(1) atoms to form distorted ZnGeTe3 trigonal pyramids that share corners with three equivalent Ge(1)Ca3ZnTe trigonal bipyramids, corners with six equivalent Zn(1)GeTe3 trigonal pyramids, and edges with three equivalent Ca(1)Ge3Te trigonal pyramids. The Zn(1)-Ge(1) bond length is 2.08 Å. All Zn(1)-Te(1) bond lengths are 3.00 Å. Ge(1) is bonded to three equivalent Ca(1), one Zn(1), and one Te(1) atom to form GeCa3ZnTe trigonal bipyramids that share corners with six equivalent Ge(1)Ca3ZnTe trigonal bipyramids,  a cornercorner with one Ca(1)Ge3Te trigonal pyramid, and corners with three equivalent Zn(1)GeTe3 trigonal pyramids. The Ge(1)-Te(1) bond length is 2.08 Å. Te(1) is bonded in a 5-coordinate geometry to one Ca(1), three equivalent Zn(1), and one Ge(1) atom.