data_MgHg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.29
_cell_angle_alpha   100.54
_cell_angle_beta   100.54
_cell_angle_gamma   36.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgHg2Ru
_chemical_formula_sum   'Mg1 Hg2 Ru1'
_cell_volume   76.78
_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  Mg2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.9  0.0  0.35  1.0
  Hg  Hg1  1  0.58  0.0  0.84  1.0
  Ru  Ru3  1  0.24  0.0  0.6  1.0

data_MgHg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.0
_cell_length_c   5.29
_cell_angle_alpha   100.54
_cell_angle_beta   90.0
_cell_angle_gamma   108.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgHg2Ru
_chemical_formula_sum   'Mg1 Hg2 Ru1'
_cell_volume   76.78
_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  0.0  1.0
  Hg  Hg1  1  0.0  0.1  0.65  1.0
  Hg  Hg2  1  0.0  0.42  0.16  1.0
  Ru  Ru3  1  0.0  0.76  0.4  1.0

Mg Hg Hg Ru