data_Na3(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3(NiO2)2
_chemical_formula_sum   'Na6 Ni4 O8'
_cell_volume   236.11
_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
  Na  Na0  1  0.83  0.81  0.68  1.0
  Na  Na1  1  0.83  0.81  0.56  1.0
  Na  Na2  1  0.83  0.19  0.92  1.0
  Na  Na3  1  0.83  0.48  0.62  1.0
  Na  Na4  1  0.83  0.52  0.86  1.0
  Na  Na5  1  0.83  0.19  0.8  1.0
  Ni  Ni6  1  0.0  0.0  0.0  1.0
  Ni  Ni7  1  0.83  0.59  0.62  1.0
  Ni  Ni8  1  0.0  0.0  0.24  1.0
  Ni  Ni9  1  0.83  0.41  0.86  1.0
  O  O10  1  0.23  0.62  0.25  1.0
  O  O11  1  0.23  0.62  0.99  1.0
  O  O12  1  0.23  0.38  0.23  1.0
  O  O13  1  0.23  0.38  0.49  1.0
  O  O14  1  0.42  0.62  0.99  1.0
  O  O15  1  0.42  0.62  0.25  1.0
  O  O16  1  0.42  0.38  0.49  1.0
  O  O17  1  0.42  0.38  0.23  1.0

data_Na3(NiO2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3(NiO2)2
_chemical_formula_sum   'Na6 Ni4 O8'
_cell_volume   236.11
_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
  Na  Na0  1  0.83  0.19  0.8  1.0
  Na  Na1  1  0.83  0.19  0.92  1.0
  Na  Na2  1  0.83  0.48  0.62  1.0
  Na  Na3  1  0.83  0.52  0.86  1.0
  Na  Na4  1  0.83  0.81  0.56  1.0
  Na  Na5  1  0.83  0.81  0.68  1.0
  Ni  Ni6  1  0.0  0.0  0.0  1.0
  Ni  Ni7  1  0.0  0.0  0.24  1.0
  Ni  Ni8  1  0.83  0.41  0.86  1.0
  Ni  Ni9  1  0.83  0.59  0.62  1.0
  O  O10  1  0.23  0.38  0.23  1.0
  O  O11  1  0.23  0.38  0.49  1.0
  O  O12  1  0.23  0.62  0.25  1.0
  O  O13  1  0.23  0.62  0.99  1.0
  O  O14  1  0.42  0.38  0.23  1.0
  O  O15  1  0.42  0.38  0.49  1.0
  O  O16  1  0.42  0.62  0.25  1.0
  O  O17  1  0.42  0.62  0.99  1.0

Na Na Na Na Na Na Ni Ni Ni Ni O O O O O O O O