data_CaPdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   152.52
_cell_angle_beta   141.14
_cell_angle_gamma   48.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPdW
_chemical_formula_sum   'Ca1 Pd1 W1'
_cell_volume   61.98
_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
  Ca  Ca0  1  0.0  0.0  0.89  1.0
  Pd  Pd1  1  0.0  0.0  0.26  1.0
  W  W2  1  0.0  0.0  0.71  1.0

data_CaPdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.98
_cell_length_c   5.99
_cell_angle_alpha   109.43
_cell_angle_beta   103.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPdW
_chemical_formula_sum   'Ca1 Pd1 W1'
_cell_volume   61.98
_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
  Ca  Ca0  1  0.11  0.11  0.11  1.0
  Pd  Pd1  1  0.74  0.74  0.74  1.0
  W  W2  1  0.29  0.29  0.29  1.0

Ca Pd W
Ca Pd W 0 2 o o o 0 1 o o + 1 1 o + + 1 2 o o o 