data_TaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.45
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   97.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn
_chemical_formula_sum   'Ta2 Zn2'
_cell_volume   65.25
_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  0.2  0.34  0.35  1.0
  Ta  Ta1  1  0.0  0.11  0.79  1.0
  Zn  Zn2  1  0.62  0.11  0.3  1.0
  Zn  Zn3  1  0.58  0.34  0.84  1.0

data_TaZn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.85
_cell_length_b   4.45
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   97.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaZn
_chemical_formula_sum   'Ta2 Zn2'
_cell_volume   65.25
_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  0.1  0.11  0.28  1.0
  Zn  Zn1  2  0.48  0.11  0.77  1.0

Ta Ta Zn Zn