# generated using pymatgen
data_LiTiCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96829117
_cell_length_b   5.96829117
_cell_length_c   5.96829117
_cell_angle_alpha   120.38451795
_cell_angle_beta   119.83655029
_cell_angle_gamma   89.80931295
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiCoO4
_chemical_formula_sum   'Li2 Ti2 Co2 O8'
_cell_volume   150.06995254
_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  0.62636400  0.87636400  0.75000000  1
  Li  Li1  1  0.37363600  0.12363600  0.25000000  1
  Ti  Ti2  1  0.00000000  0.00000000  0.50000000  1
  Ti  Ti3  1  0.00000000  0.50000000  0.00000000  1
  Co  Co4  1  0.00000000  0.50000000  0.50000000  1
  Co  Co5  1  0.50000000  0.50000000  0.00000000  1
  O  O6  1  0.78426100  0.25356300  0.53069900  1
  O  O7  1  0.22286400  0.25356300  0.96930100  1
  O  O8  1  0.23376300  0.70721200  0.97344900  1
  O  O9  1  0.23376300  0.26031400  0.52655100  1
  O  O10  1  0.76623700  0.73968600  0.47344900  1
  O  O11  1  0.76623700  0.29278800  0.02655100  1
  O  O12  1  0.77713600  0.74643700  0.03069900  1
  O  O13  1  0.21573900  0.74643700  0.46930100  1
