data_Zn2Ni3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   6.73
_cell_angle_alpha   129.95
_cell_angle_beta   129.95
_cell_angle_gamma   48.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Ni3O5
_chemical_formula_sum   'Zn2 Ni3 O5'
_cell_volume   97.03
_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
  Zn  Zn0  1  0.16  0.0  0.83  1.0
  Zn  Zn1  1  0.63  0.0  0.96  1.0
  Ni  Ni2  1  0.76  0.0  0.0  1.0
  Ni  Ni3  1  0.95  0.0  0.92  1.0
  Ni  Ni4  1  0.83  0.0  0.87  1.0
  O  O5  1  0.9  0.0  0.79  1.0
  O  O6  1  0.0  0.0  0.0  1.0
  O  O7  1  0.69  0.0  0.89  1.0
  O  O8  1  0.88  0.0  0.99  1.0
  O  O9  1  0.09  0.0  0.9  1.0

data_Zn2Ni3O5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   5.21
_cell_length_c   5.24
_cell_angle_alpha   80.2
_cell_angle_beta   66.0
_cell_angle_gamma   65.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Ni3O5
_chemical_formula_sum   'Zn2 Ni3 O5'
_cell_volume   97.03
_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
  Zn  Zn0  1  0.0  0.33  0.83  1.0
  Zn  Zn1  1  0.0  0.67  0.96  1.0
  Ni  Ni2  1  0.0  0.04  0.92  1.0
  Ni  Ni3  1  0.0  0.76  -0.0  1.0
  Ni  Ni4  1  0.0  0.96  0.87  1.0
  O  O5  1  0.0  0.0  0.0  1.0
  O  O6  1  0.0  0.11  0.79  1.0
  O  O7  1  0.0  0.2  0.9  1.0
  O  O8  1  0.0  0.8  0.89  1.0
  O  O9  1  0.0  0.89  0.99  1.0

Zn Zn Ni Ni Ni O O O O O