# generated using pymatgen
data_TiSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43334603
_cell_length_b   3.48844237
_cell_length_c   7.49881053
_cell_angle_alpha   89.72589004
_cell_angle_beta   89.57951138
_cell_angle_gamma   120.17509431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSe2
_chemical_formula_sum   'Ti1 Se2'
_cell_volume   77.63733558
_cell_formula_units_Z   1
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  0.00097589  0.64901996  0.98284894  1
  Se  Se1  1  0.65831107  0.00332106  0.78116310  1
  Se  Se2  1  0.34071302  0.34765896  0.23598799  1