data_Zn2PdW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   4.29
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   97.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PdW
_chemical_formula_sum   'Zn2 Pd1 W1'
_cell_volume   60.14
_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  Zn2  1  0.93  0.15  0.87  1.0
  Zn  Zn3  1  0.09  0.15  0.33  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.01  0.0  0.6  1.0

data_Zn2PdW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.29
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   97.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PdW
_chemical_formula_sum   'Zn2 Pd1 W1'
_cell_volume   60.14
_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  0.09  0.15  0.33  1.0
  Zn  Zn1  1  0.93  0.15  0.87  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.01  0.0  0.6  1.0

Zn Zn Pd W
Zn Zn Pd W 0 2 + o + 0 3 + o o 1 2 o o o 1 3 o o o 