data_Ta2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Zn
_chemical_formula_sum   'Ta8 Zn4'
_cell_volume   228.38
_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  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.39  1.0
  Ta  Ta2  1  0.0  0.6  0.59  1.0
  Ta  Ta3  1  0.64  0.95  0.59  1.0
  Ta  Ta4  1  0.38  0.8  0.2  1.0
  Ta  Ta5  1  0.36  0.95  0.59  1.0
  Ta  Ta6  1  0.1  0.8  0.2  1.0
  Ta  Ta7  1  0.74  0.15  0.2  1.0
  Zn  Zn8  1  0.0  0.16  0.57  1.0
  Zn  Zn9  1  0.0  0.16  0.82  1.0
  Zn  Zn10  1  0.74  0.58  0.97  1.0
  Zn  Zn11  1  0.74  0.58  0.21  1.0

data_Ta2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Zn
_chemical_formula_sum   'Ta8 Zn4'
_cell_volume   228.38
_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  0.6  0.59  1.0
  Ta  Ta1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.39  1.0
  Ta  Ta3  1  0.1  0.8  0.2  1.0
  Ta  Ta4  1  0.36  0.95  0.59  1.0
  Ta  Ta5  1  0.38  0.8  0.2  1.0
  Ta  Ta6  1  0.64  0.95  0.59  1.0
  Ta  Ta7  1  0.74  0.15  0.2  1.0
  Zn  Zn8  1  -0.0  0.16  0.57  1.0
  Zn  Zn9  1  -0.0  0.16  0.82  1.0
  Zn  Zn10  1  0.74  0.58  0.21  1.0
  Zn  Zn11  1  0.74  0.58  0.97  1.0

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