# generated using pymatgen
data_Ti4VSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99614638
_cell_length_b   6.99614643
_cell_length_c   6.99614622
_cell_angle_alpha   93.59350581
_cell_angle_beta   93.59349797
_cell_angle_gamma   151.00303714
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4VSe4
_chemical_formula_sum   'Ti4 V1 Se4'
_cell_volume   160.71296169
_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  0.38033819  0.31107155  0.69140973  1.0
  Ti  Ti1  1  0.61966181  0.68892845  0.30859027  1.0
  Ti  Ti2  1  0.68892845  0.38033819  0.06926664  1.0
  Ti  Ti3  1  0.31107155  0.61966181  0.93073336  1.0
  V  V4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.27208338  0.06087109  0.33295547  1.0
  Se  Se6  1  0.72791662  0.93912891  0.66704453  1.0
  Se  Se7  1  0.93912891  0.27208338  0.21121230  1.0
  Se  Se8  1  0.06087109  0.72791662  0.78878770  1.0