data_Ni2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   14.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2O3
_chemical_formula_sum   'Ni8 O12'
_cell_volume   205.35
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.45  0.67  0.68  1.0
  Ni  Ni1  1  0.45  0.33  0.9  1.0
  Ni  Ni2  1  0.45  0.67  0.61  1.0
  Ni  Ni3  1  0.45  0.33  0.97  1.0
  Ni  Ni4  1  0.45  0.94  0.26  1.0
  Ni  Ni5  1  0.45  0.06  0.32  1.0
  Ni  Ni6  1  0.45  0.06  0.97  1.0
  Ni  Ni7  1  0.45  0.94  0.6  1.0
  O  O8  1  0.0  0.0  0.29  1.0
  O  O9  1  0.0  0.0  0.0  1.0
  O  O10  1  0.45  0.31  0.29  1.0
  O  O11  1  0.45  0.69  0.28  1.0
  O  O12  1  0.45  0.69  0.01  1.0
  O  O13  1  0.45  0.31  0.57  1.0
  O  O14  1  0.45  0.87  0.45  1.0
  O  O15  1  0.45  0.13  0.13  1.0
  O  O16  1  0.45  0.13  0.16  1.0
  O  O17  1  0.45  0.87  0.42  1.0
  O  O18  1  0.45  0.16  0.93  1.0
  O  O19  1  0.45  0.84  0.64  1.0

data_Ni2O3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.07
_cell_length_c   14.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2O3
_chemical_formula_sum   'Ni8 O12'
_cell_volume   205.35
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.06  0.51  0.26  1.0
  Ni  Ni1  1  0.06  0.51  0.6  1.0
  Ni  Ni2  1  0.33  0.78  0.61  1.0
  Ni  Ni3  1  0.33  0.78  0.68  1.0
  Ni  Ni4  1  0.67  0.13  0.9  1.0
  Ni  Ni5  1  0.67  0.13  0.97  1.0
  Ni  Ni6  1  0.94  0.39  0.32  1.0
  Ni  Ni7  1  0.94  0.39  0.97  1.0
  O  O8  1  0.0  0.0  0.0  1.0
  O  O9  1  0.0  0.0  0.29  1.0
  O  O10  1  0.13  0.58  0.42  1.0
  O  O11  1  0.13  0.58  0.45  1.0
  O  O12  1  0.16  0.61  0.64  1.0
  O  O13  1  0.31  0.76  0.01  1.0
  O  O14  1  0.31  0.76  0.28  1.0
  O  O15  1  0.69  0.14  0.29  1.0
  O  O16  1  0.69  0.14  0.57  1.0
  O  O17  1  0.84  0.29  0.93  1.0
  O  O18  1  0.87  0.32  0.13  1.0
  O  O19  1  0.87  0.32  0.16  1.0

Ni Ni Ni Ni Ni Ni Ni Ni O O O O O O O O O O O O
Ni Ni Ni Ni Ni Ni Ni Ni O O O O O O O O O O O O 0 19 o o o 0 2 o o o 1 18 o o o 1 3 o o o 2 19 o o o 2 13 o o o 3 18 o o o 3 9 o o + 3 12 o o + 4 5 o + o 4 11 o o o 5 10 o o o 6 18 o o o 6 12 o - + 7 19 o o o 7 13 o + o 8 10 o o o 9 12 o o o 9 12 - - o 14 17 o o o 15 16 o o o 