data_V3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.65
_cell_length_c   7.1
_cell_angle_alpha   88.9
_cell_angle_beta   89.26
_cell_angle_gamma   89.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3NiO8
_chemical_formula_sum   'V3 Ni1 O8'
_cell_volume   216.28
_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
  V  V0  1  0.14  0.34  0.23  1.0
  V  V1  1  0.74  0.31  0.64  1.0
  V  V2  1  0.44  0.5  0.46  1.0
  Ni  Ni3  1  0.7  0.5  0.88  1.0
  O  O4  1  0.8  0.48  0.52  1.0
  O  O5  1  0.39  0.94  0.37  1.0
  O  O6  1  0.07  0.63  0.81  1.0
  O  O7  1  0.48  0.08  0.05  1.0
  O  O8  1  0.8  0.69  0.05  1.0
  O  O9  1  0.38  0.39  0.26  1.0
  O  O10  1  0.13  0.76  0.82  1.0
  O  O11  1  0.57  0.1  0.48  1.0

data_V3NiO8
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.39
_cell_length_b   5.65
_cell_length_c   7.1
_cell_angle_alpha   88.9
_cell_angle_beta   89.26
_cell_angle_gamma   89.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V3NiO8
_chemical_formula_sum   'V3 Ni1 O8'
_cell_volume   216.28
_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
  V  V0  1  0.14  0.34  0.23  1.0
  V  V1  1  0.44  0.5  0.46  1.0
  V  V2  1  0.74  0.31  0.64  1.0
  Ni  Ni3  1  0.7  0.5  0.88  1.0
  O  O4  1  0.07  0.63  0.81  1.0
  O  O5  1  0.13  0.76  0.82  1.0
  O  O6  1  0.38  0.39  0.26  1.0
  O  O7  1  0.39  0.94  0.37  1.0
  O  O8  1  0.48  0.08  0.05  1.0
  O  O9  1  0.57  0.1  0.48  1.0
  O  O10  1  0.8  0.48  0.52  1.0
  O  O11  1  0.8  0.69  0.05  1.0

V V V Ni O O O O O O O O