data_KCdPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.5
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   101.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdPt2
_chemical_formula_sum   'K1 Cd1 Pt2'
_cell_volume   91.41
_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  0.5  0.0  0.39  1.0
  Cd  Cd0  1  0.14  0.25  0.84  1.0
  Pt  Pt2  1  0.35  0.25  0.36  1.0
  Pt  Pt3  1  0.81  0.0  0.82  1.0

data_KCdPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.5
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   101.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdPt2
_chemical_formula_sum   'K1 Cd1 Pt2'
_cell_volume   91.41
_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  K0  1  0.5  0.0  0.39  1.0
  Cd  Cd1  1  0.14  0.25  0.84  1.0
  Pt  Pt2  1  0.35  0.25  0.36  1.0
  Pt  Pt3  1  0.81  0.0  0.82  1.0

K Cd Pt Pt
K Cd Pt Pt 0 2 o o o 1 3 - o o 