data_RePd2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.83
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePd2W
_chemical_formula_sum   'Re1 Pd2 W1'
_cell_volume   60.91
_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
  Re  Re2  1  0.92  0.92  0.0  1.0
  Pd  Pd0  1  0.0  0.92  0.07  1.0
  Pd  Pd1  1  0.92  0.0  0.07  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_RePd2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RePd2W
_chemical_formula_sum   'Re2 Pd4 W2'
_cell_volume   121.82
_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
  Re  Re0  2  0.42  0.5  -0.0  1.0
  Pd  Pd1  4  0.46  0.46  0.07  1.0
  W  W2  2  0.0  0.0  0.0  1.0

Re Pd Pd W
Re Pd Pd W 0 3 + + o 0 2 o + o 0 1 + o o 1 2 - + o 1 3 o + o 2 3 + o o 