data_Ta2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.47
_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   'Ta4 Zn2'
_cell_volume   101.11
_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  0.0  0.0  0.73  1.0
  Ta  Ta1  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.67  0.1  1.0
  Ta  Ta3  1  0.31  0.33  0.37  1.0
  Zn  Zn4  1  0.31  0.33  0.1  1.0
  Zn  Zn5  1  0.0  0.67  0.37  1.0

data_Ta2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.47
_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   'Ta4 Zn2'
_cell_volume   101.11
_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  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.0  0.73  1.0
  Ta  Ta2  1  0.0  0.67  0.1  1.0
  Ta  Ta3  1  0.31  0.33  0.37  1.0
  Zn  Zn4  1  0.0  0.67  0.37  1.0
  Zn  Zn5  1  0.31  0.33  0.1  1.0

Ta Ta Ta Ta Zn Zn
Ta Ta Ta Ta Zn Zn 0 1 o o + 1 2 o - o 1 4 o o o 2 5 o o o 3 4 o o o 