data_LiVNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   120.44
_cell_angle_beta   119.13
_cell_angle_gamma   90.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVNiO4
_chemical_formula_sum   'Li2 V2 Ni2 O8'
_cell_volume   143.72
_cell_formula_units_Z   2
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
  Li  Li0  1  0.54  0.49  0.07  1.0
  Li  Li1  1  0.46  0.49  0.07  1.0
  V  V2  1  0.92  0.49  0.95  1.0
  V  V3  1  0.0  0.49  0.19  1.0
  Ni  Ni4  1  0.0  0.98  0.0  1.0
  Ni  Ni5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.45  0.49  0.98  1.0
  O  O7  1  0.46  0.51  0.12  1.0
  O  O8  1  0.45  0.46  0.02  1.0
  O  O9  1  0.46  0.49  0.16  1.0
  O  O10  1  0.0  0.08  0.19  1.0
  O  O11  1  0.92  0.92  0.05  1.0
  O  O12  1  0.0  0.05  0.09  1.0
  O  O13  1  0.92  0.9  0.95  1.0

data_LiVNiO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.83
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   60.87
_cell_angle_beta   60.22
_cell_angle_gamma   60.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVNiO4
_chemical_formula_sum   'Li2 V2 Ni2 O8'
_cell_volume   143.72
_cell_formula_units_Z   2
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
  Li  Li0  1  0.49  0.46  0.58  1.0
  Li  Li1  1  0.49  0.54  0.58  1.0
  V  V2  1  0.49  0.0  0.7  1.0
  V  V3  1  0.49  0.08  0.46  1.0
  Ni  Ni4  1  0.0  0.0  0.0  1.0
  Ni  Ni5  1  0.98  0.0  0.02  1.0
  O  O6  1  0.05  0.0  0.03  1.0
  O  O7  1  0.08  0.0  0.11  1.0
  O  O8  1  0.46  0.55  0.56  1.0
  O  O9  1  0.49  0.54  0.67  1.0
  O  O10  1  0.49  0.55  0.49  1.0
  O  O11  1  0.51  0.54  0.6  1.0
  O  O12  1  0.9  0.08  0.05  1.0
  O  O13  1  0.92  0.08  0.13  1.0

Li Li V V Ni Ni O O O O O O O O