data_MgHgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgHgRu
_chemical_formula_sum   'Mg1 Hg1 Ru1'
_cell_volume   54.18
_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  0.0  0.0  0.44  1.0
  Hg  Hg0  1  0.5  0.87  0.87  1.0
  Ru  Ru2  1  0.0  0.74  0.52  1.0

data_MgHgRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgHgRu
_chemical_formula_sum   'Mg1 Hg1 Ru1'
_cell_volume   54.18
_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  0.0  0.44  1.0
  Hg  Hg1  1  0.5  0.87  0.87  1.0
  Ru  Ru2  1  0.0  0.74  0.52  1.0

Mg Hg Ru
Mg Hg Ru 0 2 o - o 0 1 o - o 0 1 - - o 1 2 o o o 1 2 + o o 1 2 + + o 1 1 + + o 1 1 o + o 1 1 + o o 