# generated using pymatgen
data_Li4Ti3(NiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.74329189
_cell_length_b   7.74329189
_cell_length_c   5.32754768
_cell_angle_alpha   83.53402708
_cell_angle_beta   83.53402708
_cell_angle_gamma   42.66819230
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3(NiO4)3
_chemical_formula_sum   'Li4 Ti3 Ni3 O12'
_cell_volume   214.90763436
_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  0.82662700  0.17337300  0.00000000  1
  Li  Li1  1  0.16559400  0.50073000  0.33125500  1
  Li  Li2  1  0.08083900  0.91916100  0.50000000  1
  Li  Li3  1  0.49927000  0.83440600  0.66874500  1
  Ti  Ti4  1  0.91323400  0.74833500  0.84607200  1
  Ti  Ti5  1  0.25166500  0.08676600  0.15392800  1
  Ti  Ti6  1  0.58873300  0.41126700  0.50000000  1
  Ni  Ni7  1  0.33263100  0.66736900  0.00000000  1
  Ni  Ni8  1  0.66471200  0.00559700  0.33757400  1
  Ni  Ni9  1  0.99440300  0.33528800  0.66242600  1
  O  O10  1  0.25556900  0.60408500  0.69748500  1
  O  O11  1  0.65246300  0.49855100  0.78855600  1
  O  O12  1  0.17424700  0.01484700  0.87162600  1
  O  O13  1  0.07773200  0.41287400  0.97148600  1
  O  O14  1  0.58712600  0.92226800  0.02851400  1
  O  O15  1  0.98515300  0.82575300  0.12837400  1
  O  O16  1  0.50144900  0.34753700  0.21144400  1
  O  O17  1  0.39591500  0.74443100  0.30251500  1
  O  O18  1  0.92265500  0.25731600  0.36737000  1
  O  O19  1  0.31884800  0.15872300  0.45073600  1
  O  O20  1  0.84127700  0.68115200  0.54926400  1
  O  O21  1  0.75151500  0.07973500  0.64307200  1
