# generated using pymatgen
data_Li5Fe5(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15512838
_cell_length_b   5.15512838
_cell_length_c   9.84090961
_cell_angle_alpha   84.99596121
_cell_angle_beta   84.99596121
_cell_angle_gamma   119.73923190
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe5(NiO6)2
_chemical_formula_sum   'Li5 Fe5 Ni2 O12'
_cell_volume   223.62596164
_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  0.83230800  0.65979600  0.76010400  1
  Li  Li1  1  0.68203300  0.84719300  0.23826100  1
  Li  Li2  1  0.34020400  0.16769200  0.23989600  1
  Li  Li3  1  0.15280700  0.31796700  0.76173900  1
  Li  Li4  1  0.08045000  0.91955000  0.00000000  1
  Fe  Fe5  1  0.91660600  0.08339400  0.50000000  1
  Fe  Fe6  1  0.00495600  0.51553200  0.23685400  1
  Fe  Fe7  1  0.48446800  0.99504400  0.76314600  1
  Fe  Fe8  1  0.57941300  0.42058700  0.50000000  1
  Fe  Fe9  1  0.42378900  0.57621100  0.00000000  1
  Ni  Ni10  1  0.75039400  0.24960600  0.00000000  1
  Ni  Ni11  1  0.24847400  0.75152600  0.50000000  1
  O  O12  1  0.05201900  0.23459900  0.12464200  1
  O  O13  1  0.76540100  0.94798100  0.87535800  1
  O  O14  1  0.85148100  0.35433800  0.62150200  1
  O  O15  1  0.64566200  0.14851900  0.37849800  1
  O  O16  1  0.71365500  0.54006500  0.12328900  1
  O  O17  1  0.45993500  0.28634500  0.87671100  1
  O  O18  1  0.55155100  0.72201400  0.61585300  1
  O  O19  1  0.27798600  0.44844900  0.38414700  1
  O  O20  1  0.37314700  0.85504800  0.12683300  1
  O  O21  1  0.14495200  0.62685300  0.87316700  1
  O  O22  1  0.21942300  0.05111300  0.61872800  1
  O  O23  1  0.94888700  0.78057700  0.38127200  1
