data_HgPdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   6.62
_cell_length_c   3.57
_cell_angle_alpha   82.16
_cell_angle_beta   67.88
_cell_angle_gamma   29.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPdBr
_chemical_formula_sum   'Hg1 Pd1 Br1'
_cell_volume   70.57
_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
  Hg  Hg1  1  0.79  0.08  0.62  1.0
  Pd  Pd2  1  0.79  0.08  0.28  1.0
  Br  Br0  1  0.79  0.08  0.59  1.0

data_HgPdBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.59
_cell_length_b   12.75
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   120.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgPdBr
_chemical_formula_sum   'Hg2 Pd2 Br2'
_cell_volume   141.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hg  Hg0  2  0.08  0.0  0.58  1.0
  Pd  Pd1  2  0.08  0.0  0.93  1.0
  Br  Br2  2  0.08  0.0  0.61  1.0

Hg Pd Br