data_K2BaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93
_cell_length_b   9.93
_cell_length_c   9.93
_cell_angle_alpha   156.35
_cell_angle_beta   151.46
_cell_angle_gamma   37.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaPt
_chemical_formula_sum   'K2 Ba1 Pt1'
_cell_volume   187.56
_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  K1  1  0.04  0.0  0.37  1.0
  K  K2  1  0.0  0.45  0.04  1.0
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.41  1.0

data_K2BaPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.9
_cell_length_c   9.93
_cell_angle_alpha   104.27
_cell_angle_beta   101.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaPt
_chemical_formula_sum   'K2 Ba1 Pt1'
_cell_volume   187.56
_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  0.37  0.33  1.0
  K  K1  1  0.55  0.59  0.59  1.0
  Ba  Ba2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.41  0.41  1.0

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