data_Mg2HgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.65
_cell_angle_alpha   107.66
_cell_angle_beta   107.66
_cell_angle_gamma   36.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2HgPd
_chemical_formula_sum   'Mg2 Hg1 Pd1'
_cell_volume   74.33
_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
  Mg  Mg1  1  0.01  0.0  0.14  1.0
  Mg  Mg2  1  0.3  0.0  0.08  1.0
  Hg  Hg0  1  0.31  0.0  1.0  1.0
  Pd  Pd3  1  0.26  0.0  0.38  1.0

data_Mg2HgPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.65
_cell_length_c   5.31
_cell_angle_alpha   107.66
_cell_angle_beta   108.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2HgPd
_chemical_formula_sum   'Mg2 Hg1 Pd1'
_cell_volume   74.33
_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
  Mg  Mg0  1  0.0  0.08  0.3  1.0
  Mg  Mg1  1  0.0  0.14  0.01  1.0
  Hg  Hg2  1  0.0  1.0  0.31  1.0
  Pd  Pd3  1  0.0  0.38  0.26  1.0

Mg Mg Hg Pd