# generated using pymatgen
data_TaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.80266700
_cell_length_b   8.22953131
_cell_length_c   9.76143884
_cell_angle_alpha   96.08947047
_cell_angle_beta   97.77653250
_cell_angle_gamma   108.66293209
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSe2
_chemical_formula_sum   'Ta5 Se10'
_cell_volume   580.88618288
_cell_formula_units_Z   5
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  1.0
  Ta  Ta1  1  0.03541300  0.18851100  0.24911900  1.0
  Ta  Ta2  1  0.96458700  0.81148900  0.75088100  1.0
  Ta  Ta3  1  0.65144700  0.13782900  0.13236800  1.0
  Ta  Ta4  1  0.34855300  0.86217100  0.86763200  1.0
  Se  Se5  1  0.04141300  0.89876700  0.24509900  1.0
  Se  Se6  1  0.95858700  0.10123300  0.75490100  1.0
  Se  Se7  1  0.77255800  0.67331800  0.91913800  1.0
  Se  Se8  1  0.22744200  0.32668200  0.08086200  1.0
  Se  Se9  1  0.40552100  0.85665500  0.12453000  1.0
  Se  Se10  1  0.59447900  0.14334500  0.87547000  1.0
  Se  Se11  1  0.84062200  0.28032500  0.39200800  1.0
  Se  Se12  1  0.15937800  0.71967500  0.60799200  1.0
  Se  Se13  1  0.46710300  0.64497200  0.76093200  1.0
  Se  Se14  1  0.53289700  0.35502800  0.23906800  1.0