data_KCdFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdFe2
_chemical_formula_sum   'K1 Cd1 Fe2'
_cell_volume   74.91
_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  K3  1  0.0  0.0  0.66  1.0
  Cd  Cd0  1  0.05  0.0  0.53  1.0
  Fe  Fe1  1  0.0  0.0  0.23  1.0
  Fe  Fe2  1  0.05  0.0  0.26  1.0

data_KCdFe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KCdFe2
_chemical_formula_sum   'K1 Cd1 Fe2'
_cell_volume   74.94
_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  0.66  1.0
  Cd  Cd1  1  0.05  0.0  0.53  1.0
  Fe  Fe2  1  0.0  0.0  0.23  1.0
  Fe  Fe3  1  0.05  0.0  0.26  1.0

K Cd Fe Fe