# generated using pymatgen
data_ZnNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05374600
_cell_length_b   5.15672900
_cell_length_c   7.36808300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiO3
_chemical_formula_sum   'Zn4 Ni4 O12'
_cell_volume   192.01812681
_cell_formula_units_Z   4
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  0.49124300  0.05464900  0.75000000  1.0
  Zn  Zn1  1  0.99124300  0.44535100  0.25000000  1.0
  Zn  Zn2  1  0.00875700  0.55464900  0.75000000  1.0
  Zn  Zn3  1  0.50875700  0.94535100  0.25000000  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni5  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni6  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni7  1  0.00000000  0.00000000  0.00000000  1.0
  O  O8  1  0.37371300  0.56771500  0.25000000  1.0
  O  O9  1  0.87371300  0.93228500  0.75000000  1.0
  O  O10  1  0.12628700  0.06771500  0.25000000  1.0
  O  O11  1  0.62628700  0.43228500  0.75000000  1.0
  O  O12  1  0.18690400  0.31108200  0.92971800  1.0
  O  O13  1  0.68690400  0.18891800  0.07028200  1.0
  O  O14  1  0.31309600  0.81108200  0.57028200  1.0
  O  O15  1  0.81309600  0.68891800  0.42971800  1.0
  O  O16  1  0.18690400  0.31108200  0.57028200  1.0
  O  O17  1  0.68690400  0.18891800  0.42971800  1.0
  O  O18  1  0.81309600  0.68891800  0.07028200  1.0
  O  O19  1  0.31309600  0.81108200  0.92971800  1.0