data_KMo2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   5.15
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   101.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2Pt
_chemical_formula_sum   'K1 Mo2 Pt1'
_cell_volume   82.7
_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  0.93  0.57  0.35  1.0
  Mo  Mo2  1  0.88  0.57  0.18  1.0
  Pt  Pt3  1  0.9  0.0  0.77  1.0

data_KMo2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   5.15
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   101.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMo2Pt
_chemical_formula_sum   'K1 Mo2 Pt1'
_cell_volume   82.7
_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  0.88  0.57  0.18  1.0
  Mo  Mo2  1  0.93  0.57  0.35  1.0
  Pt  Pt3  1  0.9  0.0  0.77  1.0

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