data_Mo2PdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   130.36
_cell_angle_beta   130.36
_cell_angle_gamma   72.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PdW
_chemical_formula_sum   'Mo2 Pd1 W1'
_cell_volume   63.15
_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  0.0  0.02  0.94  1.0
  Mo  Mo1  1  0.02  0.0  0.94  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.87  1.0

data_Mo2PdW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   126.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mo2PdW
_chemical_formula_sum   'Mo4 Pd2 W2'
_cell_volume   126.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.07  0.01  0.08  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  W  W2  2  0.13  0.0  0.13  1.0

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