data_Ag2HgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgPd
_chemical_formula_sum   'Ag2 Hg1 Pd1'
_cell_volume   72.58
_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
  Ag  Ag0  1  0.44  0.11  0.5  1.0
  Ag  Ag1  1  0.44  0.89  0.5  1.0
  Hg  Hg2  1  0.87  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Ag2HgPd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.1
_cell_length_b   3.0
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   111.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ag2HgPd
_chemical_formula_sum   'Ag2 Hg1 Pd1'
_cell_volume   72.58
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ag  Ag0  1  0.44  0.5  0.89  1.0
  Ag  Ag1  1  0.44  0.5  0.11  1.0
  Hg  Hg2  1  0.87  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Ag Ag Hg Pd