# generated using pymatgen
data_Ti4VSe8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09812583
_cell_length_b   7.09812569
_cell_length_c   8.67511351
_cell_angle_alpha   52.98755377
_cell_angle_beta   52.98755299
_cell_angle_gamma   60.86953518
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4VSe8
_chemical_formula_sum   'Ti4 V1 Se8'
_cell_volume   273.33105582
_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  0.74347776  0.74347776  0.01010948  1.0
  Ti  Ti1  1  0.25652224  0.25652224  0.98989052  1.0
  Ti  Ti2  1  0.73549277  0.26450723  0.50000000  1.0
  Ti  Ti3  1  0.26450723  0.73549277  0.50000000  1.0
  V  V4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.54150277  0.04096947  0.16962331  1.0
  Se  Se6  1  0.45849723  0.95903053  0.83037669  1.0
  Se  Se7  1  0.95903053  0.45849723  0.83037669  1.0
  Se  Se8  1  0.04096947  0.54150277  0.16962331  1.0
  Se  Se9  1  0.96533405  0.96533405  0.33110112  1.0
  Se  Se10  1  0.03466595  0.03466595  0.66889888  1.0
  Se  Se11  1  0.45655935  0.45655935  0.33190715  1.0
  Se  Se12  1  0.54344065  0.54344065  0.66809285  1.0