data_NaZnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnFe2
_chemical_formula_sum   'Na1 Zn1 Fe2'
_cell_volume   60.57
_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  Na2  1  0.0  0.0  0.66  1.0
  Zn  Zn3  1  0.56  0.0  0.95  1.0
  Fe  Fe0  1  0.0  0.0  0.09  1.0
  Fe  Fe1  1  0.56  0.0  0.27  1.0

data_NaZnFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZnFe2
_chemical_formula_sum   'Na1 Zn1 Fe2'
_cell_volume   60.57
_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  0.0  0.66  1.0
  Zn  Zn1  1  0.56  0.0  0.95  1.0
  Fe  Fe2  1  0.0  0.0  0.09  1.0
  Fe  Fe3  1  0.56  0.0  0.27  1.0

Na Zn Fe Fe
Na Zn Fe Fe 0 0 + + o 0 0 o + o 0 0 + o o 0 1 - o o 0 1 o o o 1 2 o o + 1 2 + o + 2 3 - o o 2 3 o o o 