data_TaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSb
_chemical_formula_sum   'Ta4 Sb4'
_cell_volume   182.51
_cell_formula_units_Z   4
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  Ta4  1  0.0  0.0  0.35  1.0
  Ta  Ta5  1  0.0  0.0  0.04  1.0
  Ta  Ta6  1  0.37  0.37  0.04  1.0
  Ta  Ta7  1  0.0  0.74  0.35  1.0
  Sb  Sb0  1  0.37  0.37  0.81  1.0
  Sb  Sb1  1  0.0  0.74  0.51  1.0
  Sb  Sb2  1  0.0  0.74  0.57  1.0
  Sb  Sb3  1  0.37  0.37  0.88  1.0

data_TaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSb
_chemical_formula_sum   'Ta4 Sb4'
_cell_volume   182.51
_cell_formula_units_Z   4
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  0.0  0.04  1.0
  Ta  Ta1  1  0.0  0.0  0.35  1.0
  Ta  Ta2  1  0.0  0.74  0.35  1.0
  Ta  Ta3  1  0.37  0.37  0.04  1.0
  Sb  Sb4  1  0.0  0.74  0.51  1.0
  Sb  Sb5  1  0.0  0.74  0.57  1.0
  Sb  Sb6  1  0.37  0.37  0.81  1.0
  Sb  Sb7  1  0.37  0.37  0.88  1.0

Ta Ta Ta Ta Sb Sb Sb Sb