data_TaSn2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   4.87
_cell_angle_alpha   92.23
_cell_angle_beta   92.23
_cell_angle_gamma   34.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2B
_chemical_formula_sum   'Ta1 Sn2 B1'
_cell_volume   88.96
_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  0.62  0.0  0.32  1.0
  Sn  Sn1  1  0.0  0.0  0.77  1.0
  Sn  Sn2  1  0.49  0.0  0.29  1.0
  B  B0  1  0.55  0.0  0.78  1.0

data_TaSn2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.87
_cell_length_c   5.65
_cell_angle_alpha   92.23
_cell_angle_beta   107.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSn2B
_chemical_formula_sum   'Ta1 Sn2 B1'
_cell_volume   88.96
_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  0.0  0.32  0.62  1.0
  Sn  Sn1  1  0.0  0.29  0.49  1.0
  Sn  Sn2  1  0.0  0.77  0.0  1.0
  B  B3  1  0.0  0.78  0.55  1.0

Ta Sn Sn B