data_NaMgZnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgZnBi
_chemical_formula_sum   'Na1 Mg1 Zn1 Bi1'
_cell_volume   97.43
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.83  0.83  0.83  1.0
  Zn  Zn3  1  0.65  0.65  0.65  1.0
  Bi  Bi0  1  0.48  0.48  0.48  1.0

data_NaMgZnBi
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   12.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaMgZnBi
_chemical_formula_sum   'Na3 Mg3 Zn3 Bi3'
_cell_volume   292.29
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Mg  Mg1  3  0.0  0.0  0.17  1.0
  Zn  Zn2  3  0.0  0.0  0.35  1.0
  Bi  Bi3  3  0.0  0.0  0.52  1.0

Na Mg Zn Bi
NaMgZnBi crystallizes in the trigonal R3m space group. Na(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent Zn(1), and three equivalent Bi(1) atoms. The Na(1)-Mg(1) bond length is 2.20 Å. All Na(1)-Zn(1) bond lengths are 2.99 Å. All Na(1)-Bi(1) bond lengths are 3.50 Å. Mg(1) is bonded to one Na(1), one Zn(1), and three equivalent Bi(1) atoms to form distorted MgNaZnBi3 trigonal bipyramids that share corners with six equivalent Mg(1)NaZnBi3 trigonal bipyramids and edges with three equivalent Zn(1)Na3MgBi trigonal bipyramids. The Mg(1)-Zn(1) bond length is 2.20 Å. All Mg(1)-Bi(1) bond lengths are 2.99 Å. Zn(1) is bonded to three equivalent Na(1), one Mg(1), and one Bi(1) atom to form ZnNa3MgBi trigonal bipyramids that share corners with six equivalent Zn(1)Na3MgBi trigonal bipyramids and edges with three equivalent Mg(1)NaZnBi3 trigonal bipyramids. The Zn(1)-Bi(1) bond length is 2.20 Å. Bi(1) is bonded in a 7-coordinate geometry to three equivalent Na(1), three equivalent Mg(1), and one Zn(1) atom.