data_Zn2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   2.66
_cell_angle_alpha   90.9
_cell_angle_beta   90.9
_cell_angle_gamma   104.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2MoPd
_chemical_formula_sum   'Zn2 Mo1 Pd1'
_cell_volume   59.71
_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  0.44  0.91  0.33  1.0
  Zn  Zn3  1  0.44  0.09  0.33  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.94  0.0  0.0  1.0

data_Zn2MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   104.64
_cell_angle_beta   90.9
_cell_angle_gamma   90.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2MoPd
_chemical_formula_sum   'Zn2 Mo1 Pd1'
_cell_volume   59.71
_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  0.33  0.44  0.09  1.0
  Zn  Zn1  1  0.33  0.44  0.91  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  -0.0  0.94  0.0  1.0

Zn Zn Mo Pd