data_TaZnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   2.64
_cell_angle_alpha   99.6
_cell_angle_beta   99.6
_cell_angle_gamma   113.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnFe2
_chemical_formula_sum   'Ta1 Zn1 Fe2'
_cell_volume   55.1
_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  Ta2  1  0.68  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.94  0.95  0.26  1.0
  Fe  Fe1  1  0.94  0.05  0.26  1.0

data_TaZnFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   113.55
_cell_angle_beta   99.6
_cell_angle_gamma   99.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZnFe2
_chemical_formula_sum   'Ta1 Zn1 Fe2'
_cell_volume   55.1
_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  0.0  0.68  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.26  0.94  0.05  1.0
  Fe  Fe3  1  0.26  0.94  0.95  1.0

Ta Zn Fe Fe