data_NaTlReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTlReMo
_chemical_formula_sum   'Na1 Tl1 Re1 Mo1'
_cell_volume   72.08
_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  Na1  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.3  0.3  0.3  1.0
  Re  Re2  1  0.95  0.95  0.95  1.0
  Mo  Mo0  1  0.65  0.65  0.65  1.0

data_NaTlReMo
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   11.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaTlReMo
_chemical_formula_sum   'Na3 Tl3 Re3 Mo3'
_cell_volume   216.24
_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
  Tl  Tl1  3  0.0  0.0  0.7  1.0
  Re  Re2  3  0.0  0.0  0.05  1.0
  Mo  Mo3  3  0.0  0.0  0.35  1.0

Na Tl Re Mo
NaMoReTl crystallizes in the trigonal R3m space group. Na(1) is bonded in a single-bond geometry to three equivalent Mo(1), one Re(1), and four equivalent Tl(1) atoms. All Na(1)-Mo(1) bond lengths are 2.70 Å. The Na(1)-Re(1) bond length is 0.52 Å. There are three shorter (2.72 Å) and one longer (3.47 Å) Na(1)-Tl(1) bond length. Mo(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), four equivalent Re(1), and three equivalent Tl(1) atoms. There are three shorter (2.72 Å) and one longer (3.47 Å) Mo(1)-Re(1) bond length. All Mo(1)-Tl(1) bond lengths are 2.70 Å. Re(1) is bonded in a single-bond geometry to one Na(1), four equivalent Mo(1), and three equivalent Tl(1) atoms. All Re(1)-Tl(1) bond lengths are 2.70 Å. Tl(1) is bonded in a distorted q6 geometry to four equivalent Na(1), three equivalent Mo(1), and three equivalent Re(1) atoms.