[CIF]
data_TaSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.11138281
_cell_length_b   3.51408200
_cell_length_c   10.68009763
_cell_angle_alpha   90.00000000
_cell_angle_beta   107.61191239
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSe3
_chemical_formula_sum   'Ta4 Se12'
_cell_volume   361.70023858
_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
  Se  Se0  1  5.29985339  2.63556150  1.59762698  1
  Se  Se1  1  4.31720434  0.87852050  6.12439558  1
  Se  Se2  1  4.29156816  2.63556150  8.84399927  1
  Se  Se3  1  6.36734658  2.63556150  3.96590953  1
  Se  Se4  1  7.21447985  2.63556150  6.50951397  1
  Se  Se5  1  9.10817487  0.87852050  0.84917981  1
  Se  Se6  1  -2.22824851  2.63556150  9.33031795  1
  Se  Se7  1  -0.33455349  0.87852050  3.66998379  1
  Se  Se8  1  0.51257978  0.87852050  6.21358824  1
  Se  Se9  1  2.58835819  0.87852050  1.33549850  1
  Se  Se10  1  2.56272202  2.63556150  4.05510218  1
  Se  Se11  1  1.58007297  0.87852050  8.58187079  1
  Ta  Ta12  1  4.45363339  0.87852050  3.36158501  1
  Ta  Ta13  1  6.21298903  0.87852050  8.22468320  1
  Ta  Ta14  1  0.66693733  2.63556150  1.95481456  1
  Ta  Ta15  1  2.42629297  2.63556150  6.81791275  1
[/CIF]
