# generated using pymatgen
data_TiSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.02843176
_cell_length_b   13.02843176
_cell_length_c   13.02843110
_cell_angle_alpha   15.83694126
_cell_angle_beta   15.83694126
_cell_angle_gamma   15.83694167
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSe
_chemical_formula_sum   'Ti4 Se4'
_cell_volume   143.53966435
_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
  Ti  Ti0  1  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti2  1  0.91436900  0.91436900  0.91436900  1.0
  Ti  Ti3  1  0.08563100  0.08563100  0.08563100  1.0
  Se  Se4  1  0.79253300  0.79253300  0.79253300  1.0
  Se  Se5  1  0.20746700  0.20746700  0.20746700  1.0
  Se  Se6  1  0.62417400  0.62417400  0.62417400  1.0
  Se  Se7  1  0.37582600  0.37582600  0.37582600  1.0