data_TaB3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   139.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaB3
_chemical_formula_sum   'Ta2 B6'
_cell_volume   94.04
_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
  Ta  Ta6  1  0.42  0.54  0.23  1.0
  Ta  Ta7  1  0.42  0.46  0.74  1.0
  B  B0  1  0.42  0.42  0.74  1.0
  B  B1  1  0.42  0.58  0.23  1.0
  B  B2  1  0.83  0.27  0.74  1.0
  B  B3  1  0.02  0.73  0.23  1.0
  B  B4  1  0.02  0.27  0.74  1.0
  B  B5  1  0.83  0.73  0.23  1.0

data_TaB3
_symmetry_space_group_name_H-M   P2_1/m
_cell_length_a   4.85
_cell_length_b   2.98
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   110.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   11
_chemical_formula_structural   TaB3
_chemical_formula_sum   'Ta2 B6'
_cell_volume   94.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y+1/2, -z'
  4  'x, -y+1/2, 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  2  0.46  0.25  0.96  1.0
  B  B1  2  0.27  0.25  0.17  1.0
  B  B2  2  0.27  0.25  0.37  1.0
  B  B3  2  0.42  0.25  0.92  1.0

Ta Ta B B B B B B