data_TaZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   3.82
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2
_chemical_formula_sum   'Ta4 Zn8'
_cell_volume   190.46
_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  0.5  0.95  0.14  1.0
  Ta  Ta1  1  0.06  0.86  0.77  1.0
  Ta  Ta2  1  0.64  0.95  0.98  1.0
  Ta  Ta3  1  0.21  0.86  0.6  1.0
  Zn  Zn4  1  0.78  0.95  0.15  1.0
  Zn  Zn5  1  0.08  0.86  0.52  1.0
  Zn  Zn6  1  0.63  0.95  0.23  1.0
  Zn  Zn7  1  0.93  0.86  0.6  1.0
  Zn  Zn8  1  0.66  0.95  0.08  1.0
  Zn  Zn9  1  0.19  0.86  0.71  1.0
  Zn  Zn10  1  0.52  0.95  0.04  1.0
  Zn  Zn11  1  0.04  0.86  0.66  1.0

data_TaZn2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.82
_cell_length_b   5.71
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaZn2
_chemical_formula_sum   'Ta4 Zn8'
_cell_volume   190.46
_cell_formula_units_Z   4
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  0.05  0.64  0.27  1.0
  Ta  Ta1  2  0.05  0.79  0.1  1.0
  Zn  Zn2  2  0.05  0.66  0.16  1.0
  Zn  Zn3  2  0.05  0.78  0.35  1.0
  Zn  Zn4  2  0.05  0.81  0.21  1.0
  Zn  Zn5  2  0.05  0.92  0.27  1.0

Ta Ta Ta Ta Zn Zn Zn Zn Zn Zn Zn Zn
Ta Ta Ta Ta Zn Zn Zn Zn Zn Zn Zn Zn 0 10 o o o 0 8 o o o 0 6 o o o 1 11 o o o 1 9 o o o 2 10 o o + 2 8 o o + 3 5 o o o 3 11 o o o 3 9 o o o 4 8 o o o 4 6 o o o 5 11 o o o 5 7 - o o 6 8 o o o 7 11 + o o 8 10 o o o 9 11 o o o 