data_KMoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMoPt2
_chemical_formula_sum   'K1 Mo1 Pt2'
_cell_volume   82.03
_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
  Mo  Mo1  1  0.15  0.0  0.0  1.0
  Pt  Pt2  1  0.57  0.88  0.54  1.0
  Pt  Pt3  1  0.57  0.12  0.54  1.0

data_KMoPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   106.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMoPt2
_chemical_formula_sum   'K1 Mo1 Pt2'
_cell_volume   82.03
_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
  Mo  Mo1  1  -0.0  0.15  0.0  1.0
  Pt  Pt2  1  0.54  0.57  0.12  1.0
  Pt  Pt3  1  0.54  0.57  0.88  1.0

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