# generated using pymatgen
data_Li3Ti2(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92460891
_cell_length_b   5.92460891
_cell_length_c   5.86291345
_cell_angle_alpha   60.57845543
_cell_angle_beta   60.57845543
_cell_angle_gamma   59.39570609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ti2(NiO4)2
_chemical_formula_sum   'Li3 Ti2 Ni2 O8'
_cell_volume   146.08445764
_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  0.50000000  0.00000000  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Li  Li2  1  0.00000000  0.50000000  0.00000000  1
  Ti  Ti3  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti4  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni5  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni6  1  0.50000000  0.00000000  0.50000000  1
  O  O7  1  0.76563400  0.76563400  0.24413700  1
  O  O8  1  0.23110400  0.23110400  0.28963600  1
  O  O9  1  0.22197500  0.77406700  0.74826900  1
  O  O10  1  0.77406700  0.22197500  0.74826900  1
  O  O11  1  0.22593300  0.77802500  0.25173100  1
  O  O12  1  0.77802500  0.22593300  0.25173100  1
  O  O13  1  0.76889600  0.76889600  0.71036400  1
  O  O14  1  0.23436600  0.23436600  0.75586300  1
