data_TaBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBSb2
_chemical_formula_sum   'Ta1 B1 Sb2'
_cell_volume   82.42
_cell_formula_units_Z   1
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  Ta3  1  0.78  0.0  0.83  1.0
  B  B0  1  0.0  0.0  0.44  1.0
  Sb  Sb1  1  0.78  0.0  0.84  1.0
  Sb  Sb2  1  0.0  0.0  0.09  1.0

data_TaBSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBSb2
_chemical_formula_sum   'Ta1 B1 Sb2'
_cell_volume   82.42
_cell_formula_units_Z   1
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  0.78  0.0  0.83  1.0
  B  B1  1  0.0  0.0  0.44  1.0
  Sb  Sb2  1  0.0  0.0  0.09  1.0
  Sb  Sb3  1  0.78  0.0  0.84  1.0

Ta B Sb Sb