data_Na2ZrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   3.53
_cell_length_c   9.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrW
_chemical_formula_sum   'Na2 Zr1 W1'
_cell_volume   98.97
_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  Na0  1  0.46  0.77  0.48  1.0
  Na  Na1  1  0.0  0.0  0.72  1.0
  Zr  Zr3  1  0.0  0.0  0.69  1.0
  W  W2  1  0.46  0.77  0.05  1.0

data_Na2ZrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   3.53
_cell_length_c   9.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrW
_chemical_formula_sum   'Na2 Zr1 W1'
_cell_volume   98.97
_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  Na0  1  0.0  0.0  0.72  1.0
  Na  Na1  1  0.46  0.77  0.48  1.0
  Zr  Zr2  1  0.0  0.0  0.69  1.0
  W  W3  1  0.46  0.77  0.05  1.0

Na Na Zr W
Na Na Zr W 0 2 o + o 0 2 + + o 0 1 o + o 0 1 + + o 0 0 + o o 1 2 o o o 1 3 o - + 1 3 - - + 3 3 + o o 3 3 o + o 
Na2ZrW crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 2-coordinate geometry to two equivalent Zr(1) and one W(1) atom. There is one shorter (2.57 Å) and one longer (2.69 Å) Na(1)-Zr(1) bond length. The Na(1)-W(1) bond length is 4.12 Å. In the second Na site, Na(2) is bonded in a single-bond geometry to one Zr(1) and two equivalent W(1) atoms. The Na(2)-Zr(1) bond length is 0.34 Å. There is one shorter (3.48 Å) and one longer (3.57 Å) Na(2)-W(1) bond length. Zr(1) is bonded in a single-bond geometry to one Na(2) and two equivalent Na(1) atoms. W(1) is bonded in a 7-coordinate geometry to one Na(1), two equivalent Na(2), and four equivalent W(1) atoms. There are two shorter (2.93 Å) and two longer (3.53 Å) W(1)-W(1) bond lengths.