data_KPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPt3
_chemical_formula_sum   'K1 Pt3'
_cell_volume   71.63
_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  0.14  1.0
  Pt  Pt2  1  0.0  0.64  0.79  1.0
  Pt  Pt3  1  0.0  0.64  0.5  1.0

data_KPt3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.84
_cell_length_b   4.91
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KPt3
_chemical_formula_sum   'K2 Pt6'
_cell_volume   143.26
_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  0.14  1.0
  Pt  Pt2  2  0.14  0.5  0.5  1.0
  Pt  Pt3  2  0.14  0.5  0.79  1.0

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