# generated using pymatgen
data_TiCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72971929
_cell_length_b   4.72968339
_cell_length_c   4.72968042
_cell_angle_alpha   59.99995261
_cell_angle_beta   60.00018276
_cell_angle_gamma   60.00021509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCo2
_chemical_formula_sum   'Ti2 Co4'
_cell_volume   74.81443229
_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
  Ti  Ti0  1  0.12501065  0.12499664  0.12499506  1.0
  Ti  Ti1  1  0.87498935  0.87500336  0.87500494  1.0
  Co  Co2  1  0.00000000  0.50000000  0.50000000  1.0
  Co  Co3  1  0.50000000  -0.00000000  0.50000000  1.0
  Co  Co4  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co5  1  0.50000000  0.50000000  0.50000000  1.0