# generated using pymatgen
data_Li3Fe2NiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73093323
_cell_length_b   6.73093323
_cell_length_c   5.90171675
_cell_angle_alpha   76.97454068
_cell_angle_beta   76.97454068
_cell_angle_gamma   25.09391916
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe2NiO6
_chemical_formula_sum   'Li3 Fe2 Ni1 O6'
_cell_volume   110.33252778
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.16429400  0.16429400  0.16570400  1
  Li  Li2  1  0.83570600  0.83570600  0.83429600  1
  Fe  Fe3  1  0.16687600  0.16687600  0.67215000  1
  Fe  Fe4  1  0.83312400  0.83312400  0.32785000  1
  Ni  Ni5  1  0.50000000  0.50000000  0.00000000  1
  O  O6  1  0.66460100  0.66460100  0.90301700  1
  O  O7  1  0.33022000  0.33022000  0.56946000  1
  O  O8  1  0.33539900  0.33539900  0.09698300  1
  O  O9  1  0.99545700  0.99545700  0.23380500  1
  O  O10  1  0.00454300  0.00454300  0.76619500  1
  O  O11  1  0.66978000  0.66978000  0.43054000  1
