# generated using pymatgen
data_TiCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68765100
_cell_length_b   4.68765100
_cell_length_c   15.27013847
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCo2
_chemical_formula_sum   'Ti8 Co16'
_cell_volume   290.59233063
_cell_formula_units_Z   8
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
  Ti  Ti0  1  0.00000000  0.00000000  0.40716500  1
  Ti  Ti1  1  0.00000000  0.00000000  0.59283500  1
  Ti  Ti2  1  0.00000000  0.00000000  0.90716500  1
  Ti  Ti3  1  0.00000000  0.00000000  0.09283500  1
  Ti  Ti4  1  0.33333300  0.66666700  0.65609700  1
  Ti  Ti5  1  0.66666700  0.33333300  0.34390300  1
  Ti  Ti6  1  0.66666700  0.33333300  0.15609700  1
  Ti  Ti7  1  0.33333300  0.66666700  0.84390300  1
  Co  Co8  1  0.33333300  0.66666700  0.37399500  1
  Co  Co9  1  0.66666700  0.33333300  0.62600500  1
  Co  Co10  1  0.66666700  0.33333300  0.87399500  1
  Co  Co11  1  0.33333300  0.66666700  0.12600500  1
  Co  Co12  1  0.50000000  0.50000000  0.50000000  1
  Co  Co13  1  0.50000000  0.00000000  0.50000000  1
  Co  Co14  1  0.00000000  0.50000000  0.50000000  1
  Co  Co15  1  0.50000000  0.50000000  0.00000000  1
  Co  Co16  1  0.50000000  0.00000000  0.00000000  1
  Co  Co17  1  0.00000000  0.50000000  0.00000000  1
  Co  Co18  1  0.16422500  0.83577500  0.25000000  1
  Co  Co19  1  0.16422500  0.32845000  0.25000000  1
  Co  Co20  1  0.67155000  0.83577500  0.25000000  1
  Co  Co21  1  0.83577500  0.16422500  0.75000000  1
  Co  Co22  1  0.83577500  0.67155000  0.75000000  1
  Co  Co23  1  0.32845000  0.16422500  0.75000000  1
