data_SiHgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   6.24
_cell_angle_alpha   151.69
_cell_angle_beta   151.69
_cell_angle_gamma   40.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiHgPd
_chemical_formula_sum   'Si1 Hg1 Pd1'
_cell_volume   54.49
_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
  Si  Si2  1  0.0  0.0  0.15  1.0
  Hg  Hg0  1  0.0  0.0  0.65  1.0
  Pd  Pd1  1  0.0  0.0  0.61  1.0

data_SiHgPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   6.24
_cell_angle_alpha   90.0
_cell_angle_beta   110.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiHgPd
_chemical_formula_sum   'Si2 Hg2 Pd2'
_cell_volume   108.97
_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
  Si  Si0  2  0.15  0.0  0.15  1.0
  Hg  Hg1  2  0.15  0.5  0.65  1.0
  Pd  Pd2  2  0.11  0.5  0.61  1.0

Si Hg Pd
Si Hg Pd 0 0 + o + 0 0 o + + 0 2 - o - 0 2 o - - 0 2 o o - 0 2 o o o 0 1 o o - 0 1 o o o 1 2 o o o 