data_TaSi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.73
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   109.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSi2Sb
_chemical_formula_sum   'Ta1 Si2 Sb1'
_cell_volume   75.03
_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  0.44  0.87  0.54  1.0
  Si  Si1  1  0.4  0.87  0.59  1.0
  Si  Si2  1  1.0  0.0  0.3  1.0
  Sb  Sb0  1  0.39  0.0  0.56  1.0

data_TaSi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.87
_cell_length_c   5.51
_cell_angle_alpha   109.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSi2Sb
_chemical_formula_sum   'Ta1 Si2 Sb1'
_cell_volume   75.03
_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  0.13  0.56  0.46  1.0
  Si  Si1  1  0.0  0.0  0.7  1.0
  Si  Si2  1  0.13  0.6  0.41  1.0
  Sb  Sb3  1  0.0  0.61  0.44  1.0

Ta Si Si Sb