# generated using pymatgen
data_Li2TiNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93298345
_cell_length_b   5.97047875
_cell_length_c   8.29624713
_cell_angle_alpha   89.99784196
_cell_angle_beta   89.99857340
_cell_angle_gamma   90.05453599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiNiO4
_chemical_formula_sum   'Li8 Ti4 Ni4 O16'
_cell_volume   293.87576808
_cell_formula_units_Z   4
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  0.25000000  0.74999500  0.75000000  1
  Li  Li1  1  0.75000000  0.24999500  0.25000000  1
  Li  Li2  1  0.25000100  0.24998000  0.74999500  1
  Li  Li3  1  0.75000100  0.74998000  0.24999500  1
  Li  Li4  1  0.00000100  0.99999700  0.49999500  1
  Li  Li5  1  0.49999900  0.49999700  0.99999700  1
  Li  Li6  1  0.50000600  0.99999900  0.49999600  1
  Li  Li7  1  0.00000700  0.49999900  0.99999800  1
  Ti  Ti8  1  0.99999200  0.50000100  0.50000600  1
  Ti  Ti9  1  0.49999100  0.00000100  0.99999800  1
  Ti  Ti10  1  0.49999100  0.49999600  0.50000400  1
  Ti  Ti11  1  0.99999200  0.99999600  0.99999600  1
  Ni  Ni12  1  0.25000300  0.74999900  0.25000100  1
  Ni  Ni13  1  0.24999900  0.25000100  0.24999900  1
  Ni  Ni14  1  0.75000300  0.24999900  0.75000100  1
  Ni  Ni15  1  0.74999900  0.75000100  0.75000000  1
  O  O16  1  0.99288000  0.50018000  0.73522800  1
  O  O17  1  0.49288200  0.00018000  0.23522100  1
  O  O18  1  0.99289900  0.00013500  0.76477200  1
  O  O19  1  0.49290100  0.50013500  0.26478000  1
  O  O20  1  0.00710200  0.99986100  0.23521800  1
  O  O21  1  0.50710400  0.49986100  0.73522500  1
  O  O22  1  0.00712200  0.49982000  0.26478000  1
  O  O23  1  0.50712400  0.99982100  0.76477400  1
  O  O24  1  0.75024500  0.72780900  0.49774600  1
  O  O25  1  0.25024500  0.22780700  0.99773900  1
  O  O26  1  0.74976000  0.27217500  0.49779000  1
  O  O27  1  0.24976000  0.77217700  0.99778200  1
  O  O28  1  0.25024300  0.72782000  0.50221800  1
  O  O29  1  0.75024400  0.22782200  0.00221100  1
  O  O30  1  0.24975900  0.27219000  0.50226000  1
  O  O31  1  0.74975800  0.77218800  0.00225300  1
