data_TaSn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2B
_chemical_formula_sum   'Ta1 Sn2 B1'
_cell_volume   86.86
_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  0.59  0.59  0.2  1.0
  Sn  Sn1  1  0.59  0.59  0.13  1.0
  Sn  Sn2  1  0.0  0.0  0.83  1.0
  B  B0  1  0.0  0.0  0.43  1.0

data_TaSn2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   8.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaSn2B
_chemical_formula_sum   'Ta2 Sn4 B2'
_cell_volume   173.71
_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+1/2, y+1/2, z'
  4  'x+1/2, -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  0.09  0.5  0.2  1.0
  Sn  Sn1  2  0.0  0.0  0.83  1.0
  Sn  Sn2  2  0.09  0.5  0.13  1.0
  B  B3  2  0.0  0.0  0.43  1.0

Ta Sn Sn B