data_MgPdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPdW2
_chemical_formula_sum   'Mg1 Pd1 W2'
_cell_volume   63.66
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.4  0.4  0.0  1.0
  W  W2  1  0.4  0.0  0.38  1.0
  W  W3  1  0.0  0.4  0.38  1.0

data_MgPdW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgPdW2
_chemical_formula_sum   'Mg2 Pd2 W4'
_cell_volume   127.32
_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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Pd  Pd1  2  0.4  0.0  0.0  1.0
  W  W2  4  0.2  0.2  0.38  1.0

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