data_Ta2Zn2NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09
_cell_length_b   10.09
_cell_length_c   5.27
_cell_angle_alpha   90.05
_cell_angle_beta   90.05
_cell_angle_gamma   34.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Zn2NiO8
_chemical_formula_sum   'Ta4 Zn4 Ni2 O16'
_cell_volume   300.81
_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
  Ta  Ta0  1  0.84  0.98  0.41  1.0
  Ta  Ta1  1  0.46  0.98  0.22  1.0
  Ta  Ta2  1  0.46  0.02  0.86  1.0
  Ta  Ta3  1  0.84  0.02  0.05  1.0
  Zn  Zn4  1  0.44  0.92  0.21  1.0
  Zn  Zn5  1  0.86  0.92  0.42  1.0
  Zn  Zn6  1  0.86  0.08  0.06  1.0
  Zn  Zn7  1  0.44  0.08  0.85  1.0
  Ni  Ni8  1  0.65  0.82  0.32  1.0
  Ni  Ni9  1  0.65  0.18  0.95  1.0
  O  O10  1  0.97  0.75  0.9  1.0
  O  O11  1  0.32  0.75  0.0  1.0
  O  O12  1  0.33  0.25  0.37  1.0
  O  O13  1  0.97  0.25  0.27  1.0
  O  O14  1  0.76  0.28  0.18  1.0
  O  O15  1  0.55  0.28  0.45  1.0
  O  O16  1  0.54  0.72  0.09  1.0
  O  O17  1  0.75  0.72  0.82  1.0
  O  O18  1  0.4  0.62  0.0  1.0
  O  O19  1  0.9  0.62  0.91  1.0
  O  O20  1  0.38  0.9  0.38  1.0
  O  O21  1  0.92  0.9  0.52  1.0
  O  O22  1  0.92  0.1  0.89  1.0
  O  O23  1  0.38  0.1  0.75  1.0
  O  O24  1  0.4  0.38  0.37  1.0
  O  O25  1  0.9  0.38  0.27  1.0

data_Ta2Zn2NiO8
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.27
_cell_length_b   5.91
_cell_length_c   10.09
_cell_angle_alpha   107.03
_cell_angle_beta   90.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ta2Zn2NiO8
_chemical_formula_sum   'Ta4 Zn4 Ni2 O16'
_cell_volume   300.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ta  Ta0  2  0.22  0.02  0.82  1.0
  Ta  Ta1  2  0.41  0.02  0.21  1.0
  Zn  Zn2  2  0.21  0.08  0.87  1.0
  Zn  Zn3  2  0.42  0.08  0.29  1.0
  Ni  Ni4  2  0.32  0.18  0.18  1.0
  O  O5  2  0.11  0.1  0.84  1.0
  O  O6  2  0.18  0.72  0.82  1.0
  O  O7  2  0.25  0.1  0.37  1.0
  O  O8  2  0.27  0.75  0.07  1.0
  O  O9  2  0.27  0.62  0.88  1.0
  O  O10  2  0.37  0.62  0.37  1.0
  O  O11  2  0.37  0.75  0.42  1.0
  O  O12  2  0.45  0.72  0.61  1.0

Ta Ta Ta Ta Zn Zn Zn Zn Ni Ni O O O O O O O O O O O O O O O O
Ta Ta Ta Ta Zn Zn Zn Zn Ni Ni O O O O O O O O O O O O O O O O 0 5 o o o 0 21 o o o 1 4 o o o 1 8 o o o 1 12 o + o 2 7 o o o 2 23 o o o 3 6 o o o 3 9 o o - 3 10 o - - 4 16 o o o 4 20 o o o 5 21 o o o 6 14 o o o 6 22 o o - 7 23 o o o 10 19 o o o 11 18 o o o 12 24 o o o 13 25 o o o 15 24 o o o 17 19 o o o 