data_KMoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.74
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   95.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMoPd2
_chemical_formula_sum   'K1 Mo1 Pd2'
_cell_volume   80.9
_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  0.61  0.0  0.83  1.0
  Pd  Pd2  1  0.96  0.87  0.23  1.0
  Pd  Pd3  1  0.09  0.87  0.43  1.0

data_KMoPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.74
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   95.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMoPd2
_chemical_formula_sum   'K1 Mo1 Pd2'
_cell_volume   80.9
_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  0.61  0.0  0.83  1.0
  Pd  Pd2  1  0.09  0.87  0.43  1.0
  Pd  Pd3  1  0.96  0.87  0.23  1.0

K Mo Pd Pd