data_TaB2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55
_cell_length_b   3.09
_cell_length_c   6.44
_cell_angle_alpha   90.0
_cell_angle_beta   91.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaB2Cl
_chemical_formula_sum   'Ta1 B2 Cl1'
_cell_volume   70.51
_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  0.21  0.54  0.84  1.0
  B  B0  1  0.44  0.0  0.01  1.0
  B  B1  1  0.28  0.54  0.01  1.0
  Cl  Cl2  1  0.16  0.0  0.79  1.0

data_TaB2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.55
_cell_length_c   6.44
_cell_angle_alpha   91.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaB2Cl
_chemical_formula_sum   'Ta1 B2 Cl1'
_cell_volume   70.51
_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  0.46  0.79  0.16  1.0
  B  B1  1  0.0  0.56  0.99  1.0
  B  B2  1  0.46  0.72  0.99  1.0
  Cl  Cl3  1  0.0  0.84  0.21  1.0

Ta B B Cl