data_HgPd5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   6.77
_cell_angle_alpha   105.93
_cell_angle_beta   105.93
_cell_angle_gamma   30.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPd5
_chemical_formula_sum   'Hg1 Pd5'
_cell_volume   97.69
_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  0.0  1.0
  Pd  Pd1  1  0.55  0.0  0.83  1.0
  Pd  Pd2  1  0.41  0.0  0.19  1.0
  Pd  Pd3  1  0.42  0.0  0.94  1.0
  Pd  Pd4  1  0.23  0.0  0.3  1.0
  Pd  Pd5  1  0.83  0.0  0.12  1.0

data_HgPd5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.47
_cell_length_c   6.77
_cell_angle_alpha   105.93
_cell_angle_beta   90.0
_cell_angle_gamma   105.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgPd5
_chemical_formula_sum   'Hg1 Pd5'
_cell_volume   97.69
_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  1.0  1.0  1.0
  Pd  Pd1  1  0.0  0.17  0.88  1.0
  Pd  Pd2  1  0.0  0.45  0.17  1.0
  Pd  Pd3  1  0.0  0.58  0.06  1.0
  Pd  Pd4  1  0.0  0.59  0.81  1.0
  Pd  Pd5  1  0.0  0.77  0.7  1.0

Hg Pd Pd Pd Pd Pd
Hg Pd Pd Pd Pd Pd 0 5 - o o 1 3 o o o 2 4 o o o 2 3 o o - 