# generated using pymatgen
data_Ti2Se3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29334340
_cell_length_b   6.29334340
_cell_length_c   11.96459295
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000401
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Se3
_chemical_formula_sum   'Ti8 Se12'
_cell_volume   410.38492786
_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  0.66666700  0.33333300  0.50542537  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.49457463  1.0
  Ti  Ti2  1  0.66666700  0.33333300  0.99457463  1.0
  Ti  Ti3  1  0.33333300  0.66666700  0.00542537  1.0
  Ti  Ti4  1  -0.00000000  -0.00000000  0.50000000  1.0
  Ti  Ti5  1  -0.00000000  -0.00000000  0.00000000  1.0
  Ti  Ti6  1  0.66666700  0.33333300  0.75000000  1.0
  Ti  Ti7  1  0.33333300  0.66666700  0.25000000  1.0
  Se  Se8  1  0.66605073  0.99546296  0.62734432  1.0
  Se  Se9  1  0.33394927  0.00453704  0.37265568  1.0
  Se  Se10  1  0.00453704  0.67058777  0.62734432  1.0
  Se  Se11  1  0.66605073  0.67058777  0.87265568  1.0
  Se  Se12  1  0.99546296  0.32941223  0.37265568  1.0
  Se  Se13  1  0.33394927  0.32941223  0.12734432  1.0
  Se  Se14  1  0.32941223  0.33394927  0.62734432  1.0
  Se  Se15  1  0.00453704  0.33394927  0.87265568  1.0
  Se  Se16  1  0.67058777  0.66605073  0.37265568  1.0
  Se  Se17  1  0.99546296  0.66605073  0.12734432  1.0
  Se  Se18  1  0.32941223  0.99546296  0.87265568  1.0
  Se  Se19  1  0.67058777  0.00453704  0.12734432  1.0