# generated using pymatgen
data_Li3Fe5(NiO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12378753
_cell_length_b   5.12378753
_cell_length_c   9.69906190
_cell_angle_alpha   85.61577201
_cell_angle_beta   85.61577201
_cell_angle_gamma   118.74636527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe5(NiO6)2
_chemical_formula_sum   'Li3 Fe5 Ni2 O12'
_cell_volume   220.72222170
_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  0.67015300  0.85063000  0.74641300  1
  Li  Li1  1  0.14937000  0.32984700  0.25358700  1
  Li  Li2  1  0.08266700  0.91733300  0.50000000  1
  Fe  Fe3  1  0.92112400  0.07887600  0.00000000  1
  Fe  Fe4  1  0.57994000  0.42006000  0.00000000  1
  Fe  Fe5  1  0.42684500  0.57315500  0.50000000  1
  Fe  Fe6  1  0.49650300  0.99634100  0.25431000  1
  Fe  Fe7  1  0.00365900  0.50349700  0.74569000  1
  Ni  Ni8  1  0.74668500  0.25331500  0.50000000  1
  Ni  Ni9  1  0.24467600  0.75532400  0.00000000  1
  O  O10  1  0.85525500  0.34887000  0.12186200  1
  O  O11  1  0.65113000  0.14474500  0.87813800  1
  O  O12  1  0.93183700  0.76580800  0.88006400  1
  O  O13  1  0.72060500  0.53696000  0.60802200  1
  O  O14  1  0.46304000  0.27939500  0.39197800  1
  O  O15  1  0.77198600  0.98357900  0.38587500  1
  O  O16  1  0.54796400  0.73180800  0.11604000  1
  O  O17  1  0.23419200  0.06816300  0.11993600  1
  O  O18  1  0.36966800  0.82159000  0.62203000  1
  O  O19  1  0.26819200  0.45203600  0.88396000  1
  O  O20  1  0.01642100  0.22801400  0.61412400  1
  O  O21  1  0.17841000  0.63033200  0.37797000  1
