# generated using pymatgen
data_Li3Ti2(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84864858
_cell_length_b   8.60734610
_cell_length_c   5.87202399
_cell_angle_alpha   89.37977751
_cell_angle_beta   90.03727138
_cell_angle_gamma   89.97744922
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ti2(NiO4)2
_chemical_formula_sum   'Li6 Ti4 Ni4 O16'
_cell_volume   295.58816612
_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  0.74999200  0.24999600  0.24998200  1
  Li  Li1  1  0.25001100  0.74999500  0.74999300  1
  Li  Li2  1  0.50011300  0.00060700  0.50049500  1
  Li  Li3  1  0.99988300  0.49939600  0.99950700  1
  Li  Li4  1  0.75000300  0.24999300  0.75000800  1
  Li  Li5  1  0.24998400  0.75000100  0.25000600  1
  Ti  Ti6  1  0.00096800  0.99996600  0.99939400  1
  Ti  Ti7  1  0.49900300  0.50003600  0.50062600  1
  Ti  Ti8  1  0.99898000  0.49978500  0.49915100  1
  Ti  Ti9  1  0.50105900  0.00019000  0.00086900  1
  Ni  Ni10  1  0.74995900  0.74989800  0.74963800  1
  Ni  Ni11  1  0.75012900  0.75001600  0.25016100  1
  Ni  Ni12  1  0.25030600  0.25002800  0.75000500  1
  Ni  Ni13  1  0.24983000  0.24991500  0.24984700  1
  O  O14  1  0.51555000  0.73420500  0.48607100  1
  O  O15  1  0.01552700  0.23480100  0.98611800  1
  O  O16  1  0.98439500  0.76593100  0.01393600  1
  O  O17  1  0.48445800  0.26523500  0.51387300  1
  O  O18  1  0.01992000  0.27120000  0.51669100  1
  O  O19  1  0.51968300  0.77131700  0.01724500  1
  O  O20  1  0.48009800  0.22883100  0.98361300  1
  O  O21  1  0.98027000  0.72867900  0.48284900  1
  O  O22  1  0.74775900  0.99790100  0.77480000  1
  O  O23  1  0.24792000  0.49781500  0.27462800  1
  O  O24  1  0.75218300  0.50209600  0.72522800  1
  O  O25  1  0.25208700  0.00215600  0.22526400  1
  O  O26  1  0.24817500  0.50900900  0.72451100  1
  O  O27  1  0.74817200  0.00896400  0.22505400  1
  O  O28  1  0.25178800  0.99101400  0.77545100  1
  O  O29  1  0.75179500  0.49102600  0.27498800  1
