# generated using pymatgen
data_Li2TiCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94321295
_cell_length_b   5.96446115
_cell_length_c   8.47222801
_cell_angle_alpha   90.00040791
_cell_angle_beta   90.00010422
_cell_angle_gamma   90.05495984
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiCoO4
_chemical_formula_sum   'Li8 Ti4 Co4 O16'
_cell_volume   300.32393212
_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  0.24999900  0.25000000  1
  Li  Li1  1  0.74999900  0.75000000  0.75000000  1
  Li  Li2  1  0.75000000  0.25000000  0.75000000  1
  Li  Li3  1  0.25000000  0.75000000  0.25000000  1
  Li  Li4  1  0.00000200  0.49998100  0.00000100  1
  Li  Li5  1  0.49999700  0.00001900  0.49999900  1
  Li  Li6  1  0.49999700  0.49998200  0.00000000  1
  Li  Li7  1  0.00000300  0.00001700  0.50000000  1
  Ti  Ti8  1  0.49999800  0.00004700  0.00000300  1
  Ti  Ti9  1  0.00000100  0.49995100  0.49999600  1
  Ti  Ti10  1  0.00000800  0.00003400  0.00000100  1
  Ti  Ti11  1  0.49999300  0.49996600  0.49999700  1
  Co  Co12  1  0.24999900  0.74999900  0.75000000  1
  Co  Co13  1  0.75000000  0.74999900  0.25000000  1
  Co  Co14  1  0.75000000  0.25000000  0.25000000  1
  Co  Co15  1  0.25000000  0.25000000  0.75000000  1
  O  O16  1  0.50620100  0.49985700  0.26778400  1
  O  O17  1  0.00619600  0.99986800  0.76778600  1
  O  O18  1  0.99380600  0.50015500  0.26778800  1
  O  O19  1  0.49380500  0.00014200  0.76778500  1
  O  O20  1  0.00619600  0.49985800  0.73221200  1
  O  O21  1  0.50619700  0.99984700  0.23221300  1
  O  O22  1  0.49380200  0.50013400  0.73221600  1
  O  O23  1  0.99380000  0.00014200  0.23221600  1
  O  O24  1  0.25024900  0.22777300  0.00395200  1
  O  O25  1  0.75024600  0.72779600  0.50390900  1
  O  O26  1  0.24974700  0.77220200  0.00389700  1
  O  O27  1  0.74975100  0.27222800  0.50394100  1
  O  O28  1  0.75025100  0.22777300  0.99605500  1
  O  O29  1  0.25025200  0.72779800  0.49610300  1
  O  O30  1  0.74975500  0.77220400  0.99609400  1
  O  O31  1  0.24975100  0.27222900  0.49605100  1
