# generated using pymatgen
data_Zr3NiO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34690300
_cell_length_b   5.71872016
_cell_length_c   8.83862900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   107.01528664
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3NiO
_chemical_formula_sum   'Zr6 Ni2 O2'
_cell_volume   161.76618719
_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
  Zr  Zr0  1  0.06550400  0.13100800  0.25000000  1.0
  Zr  Zr1  1  0.93449700  0.86899100  0.75000000  1.0
  Zr  Zr2  1  0.36500600  0.73001200  0.05963300  1.0
  Zr  Zr3  1  0.63499500  0.26998700  0.94036800  1.0
  Zr  Zr4  1  0.63499500  0.26998700  0.55963300  1.0
  Zr  Zr5  1  0.36500600  0.73001200  0.44036700  1.0
  Ni  Ni6  1  0.75560500  0.51120700  0.25000000  1.0
  Ni  Ni7  1  0.24439600  0.48879200  0.75000000  1.0
  O  O8  1  0.00000000  0.00000000  0.50000000  1.0
  O  O9  1  0.00000000  0.00000000  0.00000000  1.0