# generated using pymatgen
data_Li2TiNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97538817
_cell_length_b   9.83342416
_cell_length_c   5.12938546
_cell_angle_alpha   79.23012100
_cell_angle_beta   89.99977351
_cell_angle_gamma   90.00061371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiNiO4
_chemical_formula_sum   'Li4 Ti2 Ni2 O8'
_cell_volume   147.43335172
_cell_formula_units_Z   2
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  0.00000000  0.50000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Li  Li2  1  0.50000000  0.75000000  0.25000000  1
  Li  Li3  1  0.50000000  0.25000000  0.75000000  1
  Ti  Ti4  1  0.00000000  0.75000100  0.75000000  1
  Ti  Ti5  1  0.00000000  0.24999900  0.25000000  1
  Ni  Ni6  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni7  1  0.50000000  0.50000000  0.00000000  1
  O  O8  1  0.00001100  0.12920800  0.59866900  1
  O  O9  1  0.00001100  0.62920800  0.09867300  1
  O  O10  1  0.99998900  0.87079200  0.40133100  1
  O  O11  1  0.99998900  0.37079200  0.90132700  1
  O  O12  1  0.50001200  0.86334000  0.86657300  1
  O  O13  1  0.50001200  0.36334100  0.36657200  1
  O  O14  1  0.49998800  0.13666000  0.13342700  1
  O  O15  1  0.49998800  0.63666000  0.63342800  1
