data_ZnPdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.52
_cell_angle_alpha   101.07
_cell_angle_beta   101.07
_cell_angle_gamma   33.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPdW2
_chemical_formula_sum   'Zn1 Pd1 W2'
_cell_volume   62.12
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.37  0.0  0.21  1.0
  W  W1  1  0.71  0.0  0.31  1.0
  W  W2  1  0.04  0.0  0.12  1.0

data_ZnPdW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.52
_cell_length_c   5.04
_cell_angle_alpha   101.07
_cell_angle_beta   106.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPdW2
_chemical_formula_sum   'Zn1 Pd1 W2'
_cell_volume   62.12
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.21  0.37  1.0
  W  W2  1  0.0  0.12  0.04  1.0
  W  W3  1  0.0  0.31  0.71  1.0

Zn Pd W W