[CIF]
data_TaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18010400
_cell_length_b   9.80527270
_cell_length_c   11.50154172
_cell_angle_alpha   72.27838876
_cell_angle_beta   74.41429279
_cell_angle_gamma   83.40173590
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSe2
_chemical_formula_sum   'Ta13 Se26'
_cell_volume   949.28425400
_cell_formula_units_Z   13
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
  Ta  Ta0  1  0.00000000  0.00000000  0.00000000  1
  Ta  Ta1  1  2.99128643  7.19976894  0.73463019  1
  Ta  Ta2  1  10.40574157  5.70742506  9.88171981  1
  Ta  Ta3  1  7.32490411  1.35934646  2.27421326  1
  Ta  Ta4  1  6.07212389  11.54784754  8.34213674  1
  Ta  Ta5  1  10.30830194  8.55177477  3.00405548  1
  Ta  Ta6  1  3.08872606  4.35541923  7.61229452  1
  Ta  Ta7  1  3.05416125  5.88919882  3.82533631  1
  Ta  Ta8  1  10.34286675  7.01799518  6.79101369  1
  Ta  Ta9  1  5.35570587  3.99246037  1.61048968  1
  Ta  Ta10  1  8.04132213  8.91473363  9.00586032  1
  Ta  Ta11  1  8.42482564  9.89046569  5.44428722  1
  Ta  Ta12  1  4.97220236  3.01672831  5.17206278  1
  Se  Se13  1  9.61144953  7.32391198  0.87102905  1
  Se  Se14  1  3.78557847  5.58328202  9.74532095  1
  Se  Se15  1  6.53071790  0.25171828  0.09847726  1
  Se  Se16  1  6.86631010  12.65547572  10.51787274  1
  Se  Se17  1  3.51920649  11.73203969  8.32928034  1
  Se  Se18  1  9.87782151  1.17515431  2.28706966  1
  Se  Se19  1  7.68183872  8.78557107  3.29877597  1
  Se  Se20  1  5.71518928  4.12162293  7.31757403  1
  Se  Se21  1  9.64893904  4.70893290  7.53875507  1
  Se  Se22  1  3.74808896  8.19826110  3.07759493  1
  Se  Se23  1  5.52266468  9.06564909  9.11083479  1
  Se  Se24  1  7.87436332  3.84154491  1.50551521  1
  Se  Se25  1  9.77457744  6.21106910  4.23885376  1
  Se  Se26  1  3.62245056  6.69612490  6.37749624  1
  Se  Se27  1  7.78845604  6.35740532  9.93366561  1
  Se  Se28  1  5.60857196  6.54978868  0.68268439  1
  Se  Se29  1  5.77089161  10.38112281  5.92466644  1
  Se  Se30  1  7.62613639  2.52607119  4.69168356  1
  Se  Se31  1  2.67832922  4.66850763  1.69884956  1
  Se  Se32  1  10.71869878  8.23868637  8.91750044  1
  Se  Se33  1  4.67577406  1.86038251  2.68398314  1
  Se  Se34  1  8.72125394  11.04681149  7.93236686  1
  Se  Se35  1  2.53638204  3.47741213  5.08248202  1
  Se  Se36  1  10.86064596  9.42978187  5.53386798  1
  Se  Se37  1  7.76465863  7.64185718  6.69300354  1
  Se  Se38  1  5.63236937  5.26533682  3.92334646  1
[/CIF]
