# generated using pymatgen
data_Ti3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.90115543
_cell_length_b   9.90115565
_cell_length_c   3.57632180
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000379
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Se4
_chemical_formula_sum   'Ti6 Se8'
_cell_volume   303.62600890
_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  0.51099701  0.64221136  0.75000000  1.0
  Ti  Ti1  1  0.86878564  0.51099701  0.25000000  1.0
  Ti  Ti2  1  0.64221136  0.13121436  0.25000000  1.0
  Ti  Ti3  1  0.35778864  0.86878564  0.75000000  1.0
  Ti  Ti4  1  0.13121436  0.48900299  0.75000000  1.0
  Ti  Ti5  1  0.48900299  0.35778864  0.25000000  1.0
  Se  Se6  1  0.64809691  0.95119671  0.75000000  1.0
  Se  Se7  1  0.69689920  0.64809691  0.25000000  1.0
  Se  Se8  1  0.95119671  0.30310080  0.25000000  1.0
  Se  Se9  1  0.04880329  0.69689920  0.75000000  1.0
  Se  Se10  1  0.30310080  0.35190309  0.75000000  1.0
  Se  Se11  1  0.35190309  0.04880329  0.25000000  1.0
  Se  Se12  1  0.33333300  0.66666700  0.25000000  1.0
  Se  Se13  1  0.66666700  0.33333300  0.75000000  1.0