# generated using pymatgen
data_Ta2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73005294
_cell_length_b   4.73005294
_cell_length_c   9.09467584
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiO6
_chemical_formula_sum   'Ta4 Ni2 O12'
_cell_volume   203.47882785
_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  0.50000000  0.50000000  0.16878006  1.0
  Ta  Ta1  1  0.00000000  -0.00000000  0.66878006  1.0
  Ta  Ta2  1  0.50000000  0.50000000  0.83121994  1.0
  Ta  Ta3  1  0.00000000  -0.00000000  0.33121994  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni5  1  0.00000000  -0.00000000  0.00000000  1.0
  O  O6  1  0.19113405  0.80886595  0.50000000  1.0
  O  O7  1  0.80886595  0.19113405  0.50000000  1.0
  O  O8  1  0.30886595  0.30886595  0.00000000  1.0
  O  O9  1  0.69113405  0.69113405  0.00000000  1.0
  O  O10  1  0.20237395  0.79762605  0.17342499  1.0
  O  O11  1  0.79762605  0.20237395  0.17342499  1.0
  O  O12  1  0.29762605  0.29762605  0.67342499  1.0
  O  O13  1  0.70237395  0.70237395  0.67342499  1.0
  O  O14  1  0.79762605  0.20237395  0.82657501  1.0
  O  O15  1  0.20237395  0.79762605  0.82657501  1.0
  O  O16  1  0.70237395  0.70237395  0.32657501  1.0
  O  O17  1  0.29762605  0.29762605  0.32657501  1.0