data_NaNbIrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbIrW
_chemical_formula_sum   'Na1 Nb1 Ir1 W1'
_cell_volume   65.76
_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
  Nb  Nb2  1  0.81  0.81  0.81  1.0
  Ir  Ir0  1  0.2  0.2  0.2  1.0
  W  W3  1  0.6  0.6  0.6  1.0

data_NaNbIrW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaNbIrW
_chemical_formula_sum   'Na3 Nb3 Ir3 W3'
_cell_volume   197.27
_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
  Nb  Nb1  3  0.0  0.0  0.19  1.0
  Ir  Ir2  3  0.0  0.0  0.8  1.0
  W  W3  3  0.0  0.0  0.4  1.0

Na Nb Ir W
Na Nb Ir W 0 1 - - - 0 3 - - o 0 3 - o - 0 3 o - - 0 2 o o o 0 2 o o - 0 2 - o o 0 2 o - o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 o o + 1 2 o + + 1 2 + o + 1 2 + + o 2 3 - o o 2 3 o - o 2 3 o o - 
NaNbWIr crystallizes in the trigonal R3m space group. Na(1) is bonded in a 2-coordinate geometry to one Nb(1), three equivalent W(1), and one Ir(1) atom. The Na(1)-Nb(1) bond length is 2.16 Å. All Na(1)-W(1) bond lengths are 2.71 Å. The Na(1)-Ir(1) bond length is 2.26 Å. Nb(1) is bonded in a distorted linear geometry to one Na(1) and four equivalent W(1) atoms. There is one shorter (2.26 Å) and three longer (2.99 Å) Nb(1)-W(1) bond lengths. W(1) is bonded in a 10-coordinate geometry to three equivalent Na(1), four equivalent Nb(1), and three equivalent Ir(1) atoms. All W(1)-Ir(1) bond lengths are 2.71 Å. Ir(1) is bonded in a distorted single-bond geometry to one Na(1) and three equivalent W(1) atoms.