# generated using pymatgen
data_Li2Fe(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92098388
_cell_length_b   4.92098388
_cell_length_c   9.92406500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.45079696
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe(NiO3)2
_chemical_formula_sum   'Li4 Fe2 Ni4 O12'
_cell_volume   213.26341155
_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
  Li  Li0  1  0.63274300  0.13274300  0.75000000  1
  Li  Li1  1  0.86725700  0.36725700  0.25000000  1
  Li  Li2  1  0.13274300  0.63274300  0.75000000  1
  Li  Li3  1  0.36725700  0.86725700  0.25000000  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni6  1  0.83513700  0.16486300  0.50000000  1
  Ni  Ni7  1  0.66486300  0.33513700  0.00000000  1
  Ni  Ni8  1  0.33513700  0.66486300  0.00000000  1
  Ni  Ni9  1  0.16486300  0.83513700  0.50000000  1
  O  O10  1  0.69051600  0.03286400  0.10759500  1
  O  O11  1  0.30948400  0.96713600  0.89240500  1
  O  O12  1  0.53286400  0.19051600  0.39240500  1
  O  O13  1  0.80948400  0.46713600  0.60759500  1
  O  O14  1  0.17447900  0.17447900  0.59558000  1
  O  O15  1  0.32552100  0.32552100  0.09558000  1
  O  O16  1  0.67447900  0.67447900  0.90442000  1
  O  O17  1  0.96713600  0.30948400  0.89240500  1
  O  O18  1  0.82552100  0.82552100  0.40442000  1
  O  O19  1  0.19051600  0.53286400  0.39240500  1
  O  O20  1  0.46713600  0.80948400  0.60759500  1
  O  O21  1  0.03286400  0.69051600  0.10759500  1
