data_TaZnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnSb
_chemical_formula_sum   'Ta1 Zn1 Sb1'
_cell_volume   59.75
_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  Ta1  1  0.57  0.91  0.42  1.0
  Zn  Zn2  1  0.0  0.0  0.55  1.0
  Sb  Sb0  1  1.0  0.81  0.04  1.0

data_TaZnSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnSb
_chemical_formula_sum   'Ta1 Zn1 Sb1'
_cell_volume   59.75
_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  0.57  0.91  0.42  1.0
  Zn  Zn1  1  0.0  0.0  0.55  1.0
  Sb  Sb2  1  1.0  0.81  0.04  1.0

Ta Zn Sb
Ta Zn Sb 0 1 + + o 0 2 o o o 0 2 o + o 0 2 - o o 1 2 - - + 1 2 - - o 2 2 + + o 2 2 o + o 2 2 + o o 