data_CaMgNbZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMgNbZn
_chemical_formula_sum   'Ca1 Mg1 Nb1 Zn1'
_cell_volume   84.04
_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  Ca0  1  0.74  0.74  0.74  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.21  0.21  0.21  1.0
  Zn  Zn3  1  0.48  0.48  0.48  1.0

data_CaMgNbZn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   12.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CaMgNbZn
_chemical_formula_sum   'Ca3 Mg3 Nb3 Zn3'
_cell_volume   252.11
_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  0.26  1.0
  Mg  Mg1  3  0.0  0.0  1.0  1.0
  Nb  Nb2  3  0.0  0.0  0.79  1.0
  Zn  Zn3  3  0.0  0.0  0.52  1.0

Ca Mg Nb Zn
CaMgNbZn crystallizes in the trigonal R3m space group. Ca(1) is bonded in a 14-coordinate geometry to four equivalent Mg(1), six equivalent Nb(1), and four equivalent Zn(1) atoms. There are three shorter (2.97 Å) and one longer (3.15 Å) Ca(1)-Mg(1) bond length. There are three shorter (3.32 Å) and three longer (3.65 Å) Ca(1)-Nb(1) bond lengths. There are three shorter (2.97 Å) and one longer (3.15 Å) Ca(1)-Zn(1) bond length. Mg(1) is bonded in a 8-coordinate geometry to four equivalent Ca(1), four equivalent Nb(1), and three equivalent Zn(1) atoms. There is one shorter (2.59 Å) and three longer (3.18 Å) Mg(1)-Nb(1) bond lengths. All Mg(1)-Zn(1) bond lengths are 3.32 Å. Nb(1) is bonded in a 1-coordinate geometry to six equivalent Ca(1), four equivalent Mg(1), and four equivalent Zn(1) atoms. There are three shorter (2.97 Å) and one longer (3.15 Å) Nb(1)-Zn(1) bond length. Zn(1) is bonded in a 11-coordinate geometry to four equivalent Ca(1), three equivalent Mg(1), and four equivalent Nb(1) atoms.