data_CaMgCdGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgCdGe
_chemical_formula_sum   'Ca1 Mg1 Cd1 Ge1'
_cell_volume   93.88
_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  0.41  0.41  0.41  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.8  0.8  0.8  1.0
  Ge  Ge2  1  0.61  0.61  0.61  1.0

data_CaMgCdGe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaMgCdGe
_chemical_formula_sum   'Ca3 Mg3 Cd3 Ge3'
_cell_volume   281.63
_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  0.59  1.0
  Mg  Mg1  3  0.0  0.0  1.0  1.0
  Cd  Cd2  3  0.0  0.0  0.2  1.0
  Ge  Ge3  3  0.0  0.0  0.39  1.0

Ca Mg Cd Ge
Ca Mg Cd Ge 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - o o 0 2 o - o 0 2 o o - 1 2 - - - 1 2 - - o 1 2 o - - 1 2 - o - 1 3 - - o 1 3 - o - 1 3 o - - 2 3 o o o 
CaMgCdGe crystallizes in the trigonal R3m space group. Ca(1) is bonded in a distorted single-bond geometry to three equivalent Mg(1), three equivalent Cd(1), and one Ge(1) atom. All Ca(1)-Mg(1) bond lengths are 3.10 Å. All Ca(1)-Cd(1) bond lengths are 3.04 Å. The Ca(1)-Ge(1) bond length is 2.45 Å. Mg(1) is bonded in a 10-coordinate geometry to three equivalent Ca(1), four equivalent Cd(1), and three equivalent Ge(1) atoms. There is one shorter (2.45 Å) and three longer (3.41 Å) Mg(1)-Cd(1) bond lengths. All Mg(1)-Ge(1) bond lengths are 3.04 Å. Cd(1) is bonded in a 5-coordinate geometry to three equivalent Ca(1), four equivalent Mg(1), and one Ge(1) atom. The Cd(1)-Ge(1) bond length is 2.45 Å. Ge(1) is bonded in a 2-coordinate geometry to one Ca(1), three equivalent Mg(1), and one Cd(1) atom.