# generated using pymatgen
data_Li4Mn3Fe3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86128279
_cell_length_b   5.86128279
_cell_length_c   9.60446887
_cell_angle_alpha   89.80920294
_cell_angle_beta   89.80920294
_cell_angle_gamma   59.81690128
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn3Fe3(NiO8)2
_chemical_formula_sum   'Li4 Mn3 Fe3 Ni2 O16'
_cell_volume   285.22125494
_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  0.66751800  0.66751800  0.10792100  1
  Li  Li1  1  0.99914300  0.99914300  0.00155000  1
  Li  Li2  1  0.00012200  0.00012200  0.50212200  1
  Li  Li3  1  0.33293200  0.33293200  0.60859600  1
  Mn  Mn4  1  0.83013900  0.83013900  0.78631200  1
  Mn  Mn5  1  0.16878800  0.66244900  0.28514800  1
  Mn  Mn6  1  0.66244900  0.16878800  0.28514800  1
  Fe  Fe7  1  0.33775500  0.83069200  0.78563700  1
  Fe  Fe8  1  0.83069200  0.33775500  0.78563700  1
  Fe  Fe9  1  0.16858000  0.16858000  0.28519600  1
  Ni  Ni10  1  0.66734800  0.66734800  0.51065600  1
  Ni  Ni11  1  0.33281500  0.33281500  0.01258700  1
  O  O12  1  0.31977900  0.83852600  0.39285800  1
  O  O13  1  0.51813400  0.51813400  0.66677500  1
  O  O14  1  0.67298700  0.67298700  0.89877500  1
  O  O15  1  0.99336600  0.99336600  0.68644700  1
  O  O16  1  0.99292700  0.99292700  0.18619500  1
  O  O17  1  0.83852600  0.31977900  0.39285800  1
  O  O18  1  0.52160100  0.96332100  0.66757900  1
  O  O19  1  0.96332100  0.52160100  0.66757900  1
  O  O20  1  0.16087300  0.16087300  0.89473000  1
  O  O21  1  0.84172800  0.84172800  0.39389600  1
  O  O22  1  0.03698300  0.48481800  0.16798000  1
  O  O23  1  0.48481800  0.03698300  0.16798000  1
  O  O24  1  0.34117100  0.34117100  0.39442800  1
  O  O25  1  0.15772000  0.67879100  0.89510600  1
  O  O26  1  0.48147600  0.48147600  0.16743400  1
  O  O27  1  0.67879100  0.15772000  0.89510600  1
