# generated using pymatgen
data_TaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48776937
_cell_length_b   3.48776849
_cell_length_c   26.34930564
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999840
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSe2
_chemical_formula_sum   'Ta4 Se8'
_cell_volume   277.58450713
_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
  Ta  Ta0  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta1  1  0.00000000  0.00000000  0.50000000  1.0
  Ta  Ta2  1  -0.00000000  0.00000000  0.25000000  1.0
  Ta  Ta3  1  0.00000000  -0.00000000  0.75000000  1.0
  Se  Se4  1  0.33333300  0.66666700  0.06211644  1.0
  Se  Se5  1  0.66666700  0.33333300  0.56211744  1.0
  Se  Se6  1  0.66666700  0.33333300  0.93788256  1.0
  Se  Se7  1  0.33333300  0.66666700  0.43788256  1.0
  Se  Se8  1  0.33333300  0.66666700  0.68707381  1.0
  Se  Se9  1  0.66666700  0.33333300  0.18707381  1.0
  Se  Se10  1  0.66666700  0.33333300  0.31292619  1.0
  Se  Se11  1  0.33333300  0.66666700  0.81292619  1.0