data_KZnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.93
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   98.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnPt2
_chemical_formula_sum   'K1 Zn1 Pt2'
_cell_volume   81.88
_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  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.48  0.0  0.7  1.0
  Pt  Pt1  1  0.3  0.96  0.4  1.0
  Pt  Pt2  1  0.48  0.96  0.01  1.0

data_KZnPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.93
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   98.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnPt2
_chemical_formula_sum   'K1 Zn1 Pt2'
_cell_volume   81.88
_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  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.48  0.0  0.7  1.0
  Pt  Pt2  1  0.3  0.96  0.4  1.0
  Pt  Pt3  1  0.48  0.96  0.01  1.0

K Zn Pt Pt
K Zn Pt Pt 0 3 - - o 0 3 o - o 0 1 o o - 0 1 - o - 1 2 o - o 1 3 o - + 1 1 + o o 2 2 + o o 