data_NaNi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   7.06
_cell_angle_alpha   96.51
_cell_angle_beta   96.51
_cell_angle_gamma   119.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi3O8
_chemical_formula_sum   'Na1 Ni3 O8'
_cell_volume   139.38
_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  0.04  0.0  0.44  1.0
  Ni  Ni1  1  0.37  0.0  0.86  1.0
  Ni  Ni2  1  0.55  0.6  0.0  1.0
  Ni  Ni3  1  0.55  0.4  0.0  1.0
  O  O4  1  0.74  0.0  0.97  1.0
  O  O5  1  0.74  0.0  0.9  1.0
  O  O6  1  0.17  0.61  0.98  1.0
  O  O7  1  0.17  0.39  0.98  1.0
  O  O8  1  0.76  0.79  0.9  1.0
  O  O9  1  0.76  0.21  0.9  1.0
  O  O10  1  0.62  0.6  0.44  1.0
  O  O11  1  0.62  0.4  0.44  1.0

data_NaNi3O8
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   7.06
_cell_angle_alpha   96.51
_cell_angle_beta   96.51
_cell_angle_gamma   119.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNi3O8
_chemical_formula_sum   'Na1 Ni3 O8'
_cell_volume   139.38
_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  0.04  0.0  0.44  1.0
  Ni  Ni1  1  0.37  0.0  0.86  1.0
  Ni  Ni2  1  0.55  0.4  0.0  1.0
  Ni  Ni3  1  0.55  0.6  0.0  1.0
  O  O4  1  0.17  0.39  0.98  1.0
  O  O5  1  0.17  0.61  0.98  1.0
  O  O6  1  0.62  0.4  0.44  1.0
  O  O7  1  0.62  0.6  0.44  1.0
  O  O8  1  0.74  0.0  0.97  1.0
  O  O9  1  0.74  0.0  0.9  1.0
  O  O10  1  0.76  0.21  0.9  1.0
  O  O11  1  0.76  0.79  0.9  1.0

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