data_KYPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   134.88
_cell_angle_beta   134.88
_cell_angle_gamma   65.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYPt2
_chemical_formula_sum   'K1 Y1 Pt2'
_cell_volume   86.75
_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
  Y  Y3  1  0.0  0.15  0.35  1.0
  Pt  Pt1  1  0.15  0.0  0.35  1.0
  Pt  Pt2  1  0.0  0.0  0.7  1.0

data_KYPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   5.6
_cell_angle_alpha   112.56
_cell_angle_beta   112.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYPt2
_chemical_formula_sum   'K1 Y1 Pt2'
_cell_volume   86.75
_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
  Y  Y1  1  0.2  0.35  0.2  1.0
  Pt  Pt2  1  0.35  0.2  0.2  1.0
  Pt  Pt3  1  0.7  0.7  0.7  1.0

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