data_KPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.45
_cell_length_b   10.45
_cell_length_c   10.45
_cell_angle_alpha   15.56
_cell_angle_beta   15.56
_cell_angle_gamma   15.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPt3
_chemical_formula_sum   'K1 Pt3'
_cell_volume   71.58
_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  0.0  0.44  1.0
  Pt  Pt2  1  0.0  0.0  0.48  1.0
  Pt  Pt3  1  0.0  0.0  0.52  1.0

data_KPt3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   2.83
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   98.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KPt3
_chemical_formula_sum   'K2 Pt6'
_cell_volume   143.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.48  1.0
  Pt  Pt2  2  0.0  0.0  0.52  1.0
  Pt  Pt3  2  0.0  0.0  0.56  1.0

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