# generated using pymatgen
data_Li3Ti2(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93529017
_cell_length_b   5.88686880
_cell_length_c   5.88689099
_cell_angle_alpha   120.04646875
_cell_angle_beta   60.14811431
_cell_angle_gamma   119.85205928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ti2(NiO4)2
_chemical_formula_sum   'Li3 Ti2 Ni2 O8'
_cell_volume   145.71758694
_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  0.49999600  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000100  1
  Li  Li2  1  0.00000000  0.49999900  0.00000000  1
  Ti  Ti3  1  0.50000200  0.99999600  0.49999600  1
  Ti  Ti4  1  0.50000200  0.50000400  0.00000400  1
  Ni  Ni5  1  0.49996800  0.49999700  0.50000300  1
  Ni  Ni6  1  0.00000600  0.50000200  0.49999800  1
  O  O7  1  0.72895100  0.24904700  0.75095600  1
  O  O8  1  0.71802100  0.71390600  0.73898200  1
  O  O9  1  0.71801700  0.26101800  0.28610000  1
  O  O10  1  0.27158600  0.24411400  0.75589000  1
  O  O11  1  0.72841700  0.75588500  0.24411000  1
  O  O12  1  0.28198800  0.73898200  0.71390000  1
  O  O13  1  0.28198400  0.28609400  0.26101900  1
  O  O14  1  0.27105300  0.75095400  0.24904300  1
