data_NaV2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   9.88
_cell_angle_alpha   15.4
_cell_angle_beta   15.4
_cell_angle_gamma   15.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2Ni
_chemical_formula_sum   'Na1 V2 Ni1'
_cell_volume   59.19
_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  0.79  1.0
  V  V2  1  0.0  0.0  0.11  1.0
  V  V3  1  0.0  0.0  0.67  1.0
  Ni  Ni1  1  0.0  0.0  0.62  1.0

data_NaV2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   2.65
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   98.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaV2Ni
_chemical_formula_sum   'Na2 V4 Ni2'
_cell_volume   118.39
_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  0.21  1.0
  V  V1  2  -0.0  0.0  0.89  1.0
  V  V2  2  -0.0  0.0  0.33  1.0
  Ni  Ni3  2  -0.0  0.0  0.38  1.0

Na V V Ni