data_MnHgPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   141.56
_cell_angle_beta   141.56
_cell_angle_gamma   55.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHgPd
_chemical_formula_sum   'Mn1 Hg1 Pd1'
_cell_volume   51.29
_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
  Mn  Mn1  1  0.0  0.0  0.92  1.0
  Hg  Hg0  1  0.0  0.0  0.04  1.0
  Pd  Pd2  1  0.0  0.0  0.15  1.0

data_MnHgPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   117.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnHgPd
_chemical_formula_sum   'Mn2 Hg2 Pd2'
_cell_volume   102.58
_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
  Mn  Mn0  2  0.42  0.5  0.92  1.0
  Hg  Hg1  2  0.04  0.0  0.04  1.0
  Pd  Pd2  2  0.15  0.0  0.15  1.0

Mn Hg Pd