data_NaYInRe
_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   NaYInRe
_chemical_formula_sum   'Na1 Y1 In1 Re1'
_cell_volume   84.13
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.74  0.74  0.74  1.0
  In  In0  1  0.48  0.48  0.48  1.0
  Re  Re2  1  0.22  0.22  0.22  1.0

data_NaYInRe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   12.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaYInRe
_chemical_formula_sum   'Na3 Y3 In3 Re3'
_cell_volume   252.4
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Y  Y1  3  0.0  0.0  0.26  1.0
  In  In2  3  0.0  0.0  0.52  1.0
  Re  Re3  3  0.0  0.0  0.78  1.0

Na Y In Re
Na Y In Re 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 1 - - - 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o o 1 2 o o + 1 2 o + o 1 2 + o o 1 3 o + + 1 3 + o + 1 3 + + o 2 3 o o o 2 3 o o + 2 3 o + o 2 3 + o o 
NaYReIn crystallizes in the trigonal R3m space group. Na(1) is bonded in a 1-coordinate geometry to four equivalent Y(1), one Re(1), and six equivalent In(1) atoms. There are three shorter (2.97 Å) and one longer (3.15 Å) Na(1)-Y(1) bond length. The Na(1)-Re(1) bond length is 2.61 Å. There are three shorter (3.33 Å) and three longer (3.64 Å) Na(1)-In(1) bond lengths. Y(1) is bonded in a 14-coordinate geometry to four equivalent Na(1), six equivalent Re(1), and four equivalent In(1) atoms. There are three shorter (3.33 Å) and three longer (3.64 Å) Y(1)-Re(1) bond lengths. There are three shorter (2.97 Å) and one longer (3.15 Å) Y(1)-In(1) bond length. Re(1) is bonded in a 1-coordinate geometry to one Na(1), six equivalent Y(1), and four equivalent In(1) atoms. There are three shorter (2.97 Å) and one longer (3.15 Å) Re(1)-In(1) bond length. In(1) is bonded in a 14-coordinate geometry to six equivalent Na(1), four equivalent Y(1), and four equivalent Re(1) atoms.