data_KPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   154.19
_cell_angle_beta   130.09
_cell_angle_gamma   57.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPt3
_chemical_formula_sum   'K1 Pt3'
_cell_volume   77.43
_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
  Pt  Pt1  1  0.38  0.0  0.08  1.0
  Pt  Pt2  1  0.0  0.6  0.34  1.0
  Pt  Pt3  1  0.0  0.0  0.41  1.0

data_KPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.2
_cell_length_c   6.16
_cell_angle_alpha   114.96
_cell_angle_beta   102.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPt3
_chemical_formula_sum   'K1 Pt3'
_cell_volume   77.43
_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
  Pt  Pt1  1  0.0  0.08  0.7  1.0
  Pt  Pt2  1  0.0  0.41  0.41  1.0
  Pt  Pt3  1  0.4  0.74  0.74  1.0

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