data_Ta2AlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   2.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlZn
_chemical_formula_sum   'Ta2 Al1 Zn1'
_cell_volume   66.21
_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  0.4  0.1  0.41  1.0
  Ta  Ta2  1  0.4  0.9  0.41  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.8  0.0  0.0  1.0

data_Ta2AlZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   112.54
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlZn
_chemical_formula_sum   'Ta2 Al1 Zn1'
_cell_volume   66.21
_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  0.41  0.4  0.1  1.0
  Ta  Ta1  1  0.41  0.4  0.9  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.8  0.0  1.0

Ta Ta Al Zn
Ta Ta Al Zn 0 1 o - o 2 3 - o o 