data_HgIr2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   151.36
_cell_angle_beta   130.0
_cell_angle_gamma   58.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIr2Pd
_chemical_formula_sum   'Hg1 Ir2 Pd1'
_cell_volume   65.5
_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  0.92  1.0
  Ir  Ir1  1  0.4  0.0  0.33  1.0
  Ir  Ir2  1  0.0  0.38  0.59  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_HgIr2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.77
_cell_length_c   5.64
_cell_angle_alpha   115.0
_cell_angle_beta   104.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgIr2Pd
_chemical_formula_sum   'Hg1 Ir2 Pd1'
_cell_volume   65.5
_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  0.92  0.92  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.33  0.94  1.0
  Ir  Ir3  1  0.62  0.2  0.2  1.0

Hg Ir Ir Pd