# generated using pymatgen
data_Li4Ti3Fe3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91582164
_cell_length_b   5.91582164
_cell_length_c   9.65408023
_cell_angle_alpha   89.54716324
_cell_angle_beta   89.54716324
_cell_angle_gamma   60.04991103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3Fe3(NiO8)2
_chemical_formula_sum   'Li4 Ti3 Fe3 Ni2 O16'
_cell_volume   292.73306926
_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  0.33048900  0.33048900  0.10981100  1
  Li  Li1  1  0.00434800  0.00434800  0.00214300  1
  Li  Li2  1  0.00479600  0.00479600  0.50108300  1
  Li  Li3  1  0.66457300  0.66457300  0.60711500  1
  Ti  Ti4  1  0.66041400  0.16663900  0.78481500  1
  Ti  Ti5  1  0.16663900  0.66041400  0.78481500  1
  Ti  Ti6  1  0.82918900  0.82918900  0.28453200  1
  Fe  Fe7  1  0.16811600  0.16811600  0.78564300  1
  Fe  Fe8  1  0.83011600  0.33763400  0.28583300  1
  Fe  Fe9  1  0.33763400  0.83011600  0.28583300  1
  Ni  Ni10  1  0.33454900  0.33454900  0.51029800  1
  Ni  Ni11  1  0.66566900  0.66566900  0.01054000  1
  O  O12  1  0.68099100  0.16514800  0.39525800  1
  O  O13  1  0.48088600  0.48088600  0.66718100  1
  O  O14  1  0.34128800  0.34128800  0.89948600  1
  O  O15  1  0.99478800  0.99478800  0.68545400  1
  O  O16  1  0.99388700  0.99388700  0.18561800  1
  O  O17  1  0.16514800  0.68099100  0.39525800  1
  O  O18  1  0.47872000  0.03732800  0.66720500  1
  O  O19  1  0.03732800  0.47872000  0.66720500  1
  O  O20  1  0.83900000  0.83900000  0.89618100  1
  O  O21  1  0.16172400  0.16172400  0.39175100  1
  O  O22  1  0.96096700  0.51394400  0.16692800  1
  O  O23  1  0.51394400  0.96096700  0.16692800  1
  O  O24  1  0.67485400  0.67485400  0.40075500  1
  O  O25  1  0.84346400  0.31980000  0.89298500  1
  O  O26  1  0.51812500  0.51812500  0.16870000  1
  O  O27  1  0.31980000  0.84346400  0.89298500  1
