# generated using pymatgen
data_Li4Ti3Cr3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86286669
_cell_length_b   5.86286669
_cell_length_c   9.65946393
_cell_angle_alpha   89.97823051
_cell_angle_beta   89.97823051
_cell_angle_gamma   60.14613506
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Ti3Cr3(NiO8)2
_chemical_formula_sum   'Li4 Ti3 Cr3 Ni2 O16'
_cell_volume   287.96605323
_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  0.33124300  0.33124300  0.89308900  1
  Li  Li1  1  0.00640500  0.00640500  0.99633300  1
  Li  Li2  1  0.00468600  0.00468600  0.49828300  1
  Li  Li3  1  0.66403200  0.66403200  0.39517300  1
  Ti  Ti4  1  0.16474800  0.65891300  0.21679100  1
  Ti  Ti5  1  0.65891300  0.16474800  0.21679100  1
  Ti  Ti6  1  0.82540900  0.82540900  0.72083400  1
  Cr  Cr7  1  0.16712100  0.16712100  0.21109900  1
  Cr  Cr8  1  0.33415500  0.82790100  0.71141400  1
  Cr  Cr9  1  0.82790100  0.33415500  0.71141400  1
  Ni  Ni10  1  0.33428600  0.33428600  0.48976800  1
  Ni  Ni11  1  0.66733000  0.66733000  0.98928000  1
  O  O12  1  0.16571000  0.68249100  0.60610300  1
  O  O13  1  0.48149700  0.48149700  0.33112100  1
  O  O14  1  0.33734100  0.33734100  0.10191300  1
  O  O15  1  0.99957200  0.99957200  0.31400300  1
  O  O16  1  0.99786800  0.99786800  0.81259200  1
  O  O17  1  0.68249100  0.16571000  0.60610300  1
  O  O18  1  0.03529400  0.47795900  0.33064400  1
  O  O19  1  0.47795900  0.03529400  0.33064400  1
  O  O20  1  0.84154900  0.84154900  0.10452200  1
  O  O21  1  0.16084400  0.16084400  0.61258200  1
  O  O22  1  0.51374000  0.96400900  0.83118600  1
  O  O23  1  0.96400900  0.51374000  0.83118600  1
  O  O24  1  0.66904700  0.66904700  0.60202200  1
  O  O25  1  0.32037700  0.84754200  0.10828400  1
  O  O26  1  0.51896200  0.51896200  0.82633700  1
  O  O27  1  0.84754200  0.32037700  0.10828400  1
