# generated using pymatgen
data_Ba(TaSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06352032
_cell_length_b   6.06352035
_cell_length_c   16.60746161
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999438
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(TaSe2)3
_chemical_formula_sum   'Ba2 Ta6 Se12'
_cell_volume   528.79043443
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.00000000  0.00000000  0.50000000  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta2  1  0.00000000  0.00000000  0.25000000  1.0
  Ta  Ta3  1  0.00000000  0.00000000  0.75000000  1.0
  Ta  Ta4  1  0.33333300  0.66666700  0.25000000  1.0
  Ta  Ta5  1  0.66666700  0.33333300  0.75000000  1.0
  Ta  Ta6  1  0.66666700  0.33333300  0.25000000  1.0
  Ta  Ta7  1  0.33333300  0.66666700  0.75000000  1.0
  Se  Se8  1  0.33797282  0.00000000  0.15101823  1.0
  Se  Se9  1  0.00000000  0.33797282  0.15101823  1.0
  Se  Se10  1  0.66202718  0.66202718  0.15101823  1.0
  Se  Se11  1  0.33797282  0.33797282  0.65101823  1.0
  Se  Se12  1  0.66202718  0.66202718  0.34898177  1.0
  Se  Se13  1  0.66202718  1.00000000  0.65101823  1.0
  Se  Se14  1  1.00000000  0.66202718  0.65101823  1.0
  Se  Se15  1  1.00000000  0.66202718  0.84898177  1.0
  Se  Se16  1  0.33797282  0.33797282  0.84898177  1.0
  Se  Se17  1  0.00000000  0.33797282  0.34898177  1.0
  Se  Se18  1  0.33797282  0.00000000  0.34898177  1.0
  Se  Se19  1  0.66202718  1.00000000  0.84898177  1.0