data_TaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   149.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn
_chemical_formula_sum   'Ta2 Zn2'
_cell_volume   68.4
_cell_formula_units_Z   2
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  0.41  0.07  0.51  1.0
  Ta  Ta1  1  0.41  0.93  0.17  1.0
  Zn  Zn2  1  0.41  0.33  0.51  1.0
  Zn  Zn3  1  0.41  0.67  0.17  1.0

data_TaZn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.83
_cell_length_b   4.68
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   105.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaZn
_chemical_formula_sum   'Ta2 Zn2'
_cell_volume   68.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.07  0.33  0.57  1.0
  Zn  Zn1  2  0.33  0.33  0.83  1.0

Ta Ta Zn Zn