data_NaZn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   4.94
_cell_angle_alpha   106.81
_cell_angle_beta   106.81
_cell_angle_gamma   28.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZn2Fe
_chemical_formula_sum   'Na1 Zn2 Fe1'
_cell_volume   64.12
_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
  Na  Na1  1  0.32  0.0  0.02  1.0
  Zn  Zn2  1  0.03  0.0  0.07  1.0
  Zn  Zn3  1  0.53  0.0  0.36  1.0
  Fe  Fe0  1  0.58  0.0  0.62  1.0

data_NaZn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.94
_cell_length_c   5.3
_cell_angle_alpha   106.81
_cell_angle_beta   104.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZn2Fe
_chemical_formula_sum   'Na1 Zn2 Fe1'
_cell_volume   64.12
_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
  Na  Na0  1  0.0  0.02  0.32  1.0
  Zn  Zn1  1  0.0  0.07  0.03  1.0
  Zn  Zn2  1  0.0  0.36  0.53  1.0
  Fe  Fe3  1  0.0  0.62  0.58  1.0

Na Zn Zn Fe