data_Ta2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   150.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2B
_chemical_formula_sum   'Ta4 B2'
_cell_volume   88.32
_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  Ta2  1  0.58  0.8  0.52  1.0
  Ta  Ta3  1  0.58  0.64  0.52  1.0
  Ta  Ta4  1  0.58  0.36  0.17  1.0
  Ta  Ta5  1  0.58  0.2  0.17  1.0
  B  B0  1  0.58  0.22  0.52  1.0
  B  B1  1  0.58  0.78  0.17  1.0

data_Ta2B
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.15
_cell_length_b   4.69
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   104.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ta2B
_chemical_formula_sum   'Ta4 B2'
_cell_volume   88.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.2  0.67  0.2  1.0
  Ta  Ta1  2  0.36  0.67  0.36  1.0
  B  B2  2  0.22  0.33  0.22  1.0

Ta Ta Ta Ta B B