# generated using pymatgen
data_Li3Fe3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91526326
_cell_length_b   5.91526326
_cell_length_c   5.97447354
_cell_angle_alpha   60.10648928
_cell_angle_beta   60.10648928
_cell_angle_gamma   60.33719571
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe3NiO8
_chemical_formula_sum   'Li3 Fe3 Ni1 O8'
_cell_volume   148.43217865
_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  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1
  Li  Li2  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe4  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe5  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni6  1  0.00000000  0.00000000  0.50000000  1
  O  O7  1  0.73494700  0.27782400  0.71792500  1
  O  O8  1  0.26678700  0.26678700  0.72337700  1
  O  O9  1  0.75570300  0.75570300  0.72357100  1
  O  O10  1  0.27782400  0.73494700  0.71792500  1
  O  O11  1  0.72217600  0.26505300  0.28207500  1
  O  O12  1  0.24429700  0.24429700  0.27642900  1
  O  O13  1  0.73321300  0.73321300  0.27662300  1
  O  O14  1  0.26505300  0.72217600  0.28207500  1
