data_KPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   14.24
_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   'K6 Pt18'
_cell_volume   441.84
_cell_formula_units_Z   6
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  0.68  1.0
  K  K1  1  0.0  0.0  0.56  1.0
  K  K2  1  0.0  0.46  0.33  1.0
  K  K3  1  0.0  0.46  0.79  1.0
  K  K4  1  0.99  0.73  0.91  1.0
  K  K5  1  0.99  0.73  0.45  1.0
  Pt  Pt6  1  0.68  0.7  0.68  1.0
  Pt  Pt7  1  0.31  0.49  0.56  1.0
  Pt  Pt8  1  0.0  0.75  0.13  1.0
  Pt  Pt9  1  0.0  0.75  0.22  1.0
  Pt  Pt10  1  0.52  0.31  0.13  1.0
  Pt  Pt11  1  0.52  0.31  0.22  1.0
  Pt  Pt12  1  0.51  0.87  0.11  1.0
  Pt  Pt13  1  0.51  0.87  0.01  1.0
  Pt  Pt14  1  0.0  0.98  0.68  1.0
  Pt  Pt15  1  0.99  0.21  0.56  1.0
  Pt  Pt16  1  0.32  0.7  0.68  1.0
  Pt  Pt17  1  0.68  0.49  0.56  1.0
  Pt  Pt18  1  0.48  0.31  0.13  1.0
  Pt  Pt19  1  0.48  0.31  0.22  1.0
  Pt  Pt20  1  0.47  0.87  0.11  1.0
  Pt  Pt21  1  0.47  0.87  0.01  1.0
  Pt  Pt22  1  0.99  0.44  0.11  1.0
  Pt  Pt23  1  0.99  0.44  0.01  1.0

data_KPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   14.24
_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   'K6 Pt18'
_cell_volume   441.84
_cell_formula_units_Z   6
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  0.46  0.33  1.0
  K  K1  1  -0.0  0.46  0.79  1.0
  K  K2  1  0.0  0.0  0.56  1.0
  K  K3  1  0.0  0.0  0.68  1.0
  K  K4  1  0.99  0.73  0.45  1.0
  K  K5  1  0.99  0.73  0.91  1.0
  Pt  Pt6  1  -0.0  0.98  0.68  1.0
  Pt  Pt7  1  -0.0  0.75  0.13  1.0
  Pt  Pt8  1  -0.0  0.75  0.22  1.0
  Pt  Pt9  1  0.31  0.49  0.56  1.0
  Pt  Pt10  1  0.32  0.7  0.68  1.0
  Pt  Pt11  1  0.47  0.87  0.01  1.0
  Pt  Pt12  1  0.47  0.87  0.11  1.0
  Pt  Pt13  1  0.48  0.31  0.13  1.0
  Pt  Pt14  1  0.48  0.31  0.22  1.0
  Pt  Pt15  1  0.51  0.87  0.01  1.0
  Pt  Pt16  1  0.51  0.87  0.11  1.0
  Pt  Pt17  1  0.52  0.31  0.13  1.0
  Pt  Pt18  1  0.52  0.31  0.22  1.0
  Pt  Pt19  1  0.68  0.49  0.56  1.0
  Pt  Pt20  1  0.68  0.7  0.68  1.0
  Pt  Pt21  1  0.99  0.21  0.56  1.0
  Pt  Pt22  1  0.99  0.44  0.01  1.0
  Pt  Pt23  1  0.99  0.44  0.11  1.0

K K K K K K Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt