data_ZrZnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   2.72
_cell_angle_alpha   101.16
_cell_angle_beta   101.16
_cell_angle_gamma   114.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnFe2
_chemical_formula_sum   'Zr1 Zn1 Fe2'
_cell_volume   59.34
_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
  Zr  Zr3  1  0.75  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.89  0.88  0.27  1.0
  Fe  Fe1  1  0.89  0.12  0.27  1.0

data_ZrZnFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   114.17
_cell_angle_beta   101.16
_cell_angle_gamma   101.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnFe2
_chemical_formula_sum   'Zr1 Zn1 Fe2'
_cell_volume   59.34
_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
  Zr  Zr0  1  -0.0  0.75  0.0  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Fe  Fe2  1  0.27  0.89  0.12  1.0
  Fe  Fe3  1  0.27  0.89  0.88  1.0

Zr Zn Fe Fe