data_BaPdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   143.35
_cell_angle_beta   143.35
_cell_angle_gamma   52.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaPdW2
_chemical_formula_sum   'Ba1 Pd1 W2'
_cell_volume   87.97
_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
  Ba  Ba0  1  0.0  0.0  0.63  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.98  0.0  0.82  1.0
  W  W3  1  0.0  0.98  0.82  1.0

data_BaPdW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   116.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaPdW2
_chemical_formula_sum   'Ba2 Pd2 W4'
_cell_volume   175.94
_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
  Ba  Ba0  2  0.0  0.0  0.37  1.0
  Pd  Pd1  2  0.0  0.0  0.0  1.0
  W  W2  4  0.49  0.49  0.16  1.0

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