data_HgOsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgOsPd2
_chemical_formula_sum   'Hg1 Os1 Pd2'
_cell_volume   65.27
_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  Hg0  1  0.0  0.0  0.1  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.41  0.41  0.87  1.0
  Pd  Pd3  1  0.41  0.41  0.33  1.0

data_HgOsPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgOsPd2
_chemical_formula_sum   'Hg2 Os2 Pd4'
_cell_volume   130.54
_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  0.0  0.0  0.1  1.0
  Os  Os1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.41  0.0  0.33  1.0
  Pd  Pd3  2  0.41  0.0  0.87  1.0

Hg Os Pd Pd
Hg Os Pd Pd 0 1 o o o 0 2 o o - 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 o o - 1 2 o - - 1 2 - o - 1 2 - - - 1 3 o o o 3 3 + o o 3 3 o + o 