data_NaZrV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrV2
_chemical_formula_sum   'Na1 Zr1 V2'
_cell_volume   78.02
_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  0.0  1.0
  Zr  Zr3  1  0.49  0.49  0.0  1.0
  V  V1  1  0.0  0.49  0.57  1.0
  V  V2  1  0.49  0.0  0.57  1.0

data_NaZrV2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   3.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZrV2
_chemical_formula_sum   'Na2 Zr2 V4'
_cell_volume   156.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Zr  Zr1  2  0.49  0.0  -0.0  1.0
  V  V2  4  0.24  0.24  0.57  1.0

Na Zr V V
NaZrV2 is alpha iridium vanadium-derived structured and crystallizes in the monoclinic Cm space group. Na(1) is bonded in a distorted body-centered cubic geometry to eight equivalent V(1) atoms. There are a spread of Na(1)-V(1) bond distances ranging from 2.78-3.12 Å. Zr(1) is bonded in a 8-coordinate geometry to eight equivalent V(1) atoms. There are a spread of Zr(1)-V(1) bond distances ranging from 2.78-3.12 Å. V(1) is bonded in a 8-coordinate geometry to four equivalent Na(1) and four equivalent Zr(1) atoms.