data_Mo2PdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PdW
_chemical_formula_sum   'Mo2 Pd1 W1'
_cell_volume   63.16
_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
  Mo  Mo0  1  0.64  0.0  0.65  1.0
  Mo  Mo1  1  0.64  0.0  0.2  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.43  1.0

data_Mo2PdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PdW
_chemical_formula_sum   'Mo2 Pd1 W1'
_cell_volume   63.16
_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
  Mo  Mo0  1  0.64  0.0  0.2  1.0
  Mo  Mo1  1  0.64  0.0  0.65  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.43  1.0

Mo Mo Pd W
Mo Mo Pd W 0 3 o o o 0 3 + o o 0 0 o + o 0 0 + o o 1 2 o o o 1 2 + o o 1 3 o o o 1 3 + o o 3 3 o + o 3 3 + o o 