data_KZn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.0
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZn2Fe
_chemical_formula_sum   'K1 Zn2 Fe1'
_cell_volume   83.49
_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
  K  K1  1  0.0  0.0  0.63  1.0
  Zn  Zn2  1  0.36  1.0  0.58  1.0
  Zn  Zn3  1  0.0  0.0  0.38  1.0
  Fe  Fe0  1  0.36  1.0  0.96  1.0

data_KZn2Fe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.71
_cell_length_b   4.0
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KZn2Fe
_chemical_formula_sum   'K1 Zn2 Fe1'
_cell_volume   83.49
_cell_formula_units_Z   1
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
  K  K0  1  0.0  0.0  0.63  1.0
  Zn  Zn1  1  0.0  0.0  0.38  1.0
  Zn  Zn2  1  0.36  0.0  0.58  1.0
  Fe  Fe3  1  0.36  0.0  0.96  1.0

K Zn Zn Fe