# generated using pymatgen
data_TaB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31587543
_cell_length_b   5.31587543
_cell_length_c   6.78303000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaB4
_chemical_formula_sum   'Ta4 B16'
_cell_volume   165.99843405
_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  0.33333300  0.66666700  0.25000000  1.0
  Ta  Ta1  1  0.66666700  0.33333300  0.75000000  1.0
  Ta  Ta2  1  0.00000000  0.00000000  0.25000000  1.0
  Ta  Ta3  1  0.00000000  0.00000000  0.75000000  1.0
  B  B4  1  0.33668800  0.33668800  0.50000000  1.0
  B  B5  1  0.66331200  0.00000000  0.50000000  1.0
  B  B6  1  0.00000000  0.66331200  0.50000000  1.0
  B  B7  1  0.66331200  0.66331200  0.50000000  1.0
  B  B8  1  0.00000000  0.33668800  0.50000000  1.0
  B  B9  1  0.33668800  0.00000000  0.50000000  1.0
  B  B10  1  0.66331200  0.66331200  0.00000000  1.0
  B  B11  1  0.33668800  0.00000000  0.00000000  1.0
  B  B12  1  0.00000000  0.33668800  0.00000000  1.0
  B  B13  1  0.33668800  0.33668800  0.00000000  1.0
  B  B14  1  0.00000000  0.66331200  0.00000000  1.0
  B  B15  1  0.66331200  0.00000000  0.00000000  1.0
  B  B16  1  0.33333300  0.66666700  0.87514200  1.0
  B  B17  1  0.66666700  0.33333300  0.12485800  1.0
  B  B18  1  0.66666700  0.33333300  0.37514200  1.0
  B  B19  1  0.33333300  0.66666700  0.62485800  1.0