data_Zn(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   119.63
_cell_angle_beta   119.27
_cell_angle_gamma   90.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(NiO2)2
_chemical_formula_sum   'Zn2 Ni4 O8'
_cell_volume   146.01
_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
  Zn  Zn0  1  0.48  0.49  0.07  1.0
  Zn  Zn1  1  0.52  0.49  0.07  1.0
  Ni  Ni2  1  0.0  0.49  0.22  1.0
  Ni  Ni3  1  0.96  0.49  0.91  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  0.0  0.94  0.95  1.0
  O  O7  1  0.41  0.49  0.98  1.0
  O  O8  1  0.0  0.04  0.95  1.0
  O  O9  1  0.55  0.51  0.12  1.0
  O  O10  1  0.41  0.47  0.02  1.0
  O  O11  1  0.55  0.49  0.15  1.0
  O  O12  1  0.96  0.94  0.18  1.0
  O  O13  1  0.96  0.04  0.18  1.0

data_Zn(NiO2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   90.95
_cell_angle_beta   119.27
_cell_angle_gamma   119.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn(NiO2)2
_chemical_formula_sum   'Zn2 Ni4 O8'
_cell_volume   146.01
_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
  Zn  Zn0  1  0.07  0.58  0.58  1.0
  Zn  Zn1  1  0.07  0.55  0.58  1.0
  Ni  Ni2  1  -0.0  0.0  0.02  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.22  0.22  0.73  1.0
  Ni  Ni5  1  0.91  0.95  0.43  1.0
  O  O6  1  0.02  0.61  0.55  1.0
  O  O7  1  0.12  0.56  0.61  1.0
  O  O8  1  0.15  0.6  0.66  1.0
  O  O9  1  0.18  0.22  0.14  1.0
  O  O10  1  0.18  0.22  0.24  1.0
  O  O11  1  0.95  0.95  0.01  1.0
  O  O12  1  0.95  0.95  0.91  1.0
  O  O13  1  0.98  0.57  0.49  1.0

Zn Zn Ni Ni Ni Ni O O O O O O O O