data_Sr2HgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   120.54
_cell_angle_beta   120.54
_cell_angle_gamma   89.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HgRu
_chemical_formula_sum   'Sr2 Hg1 Ru1'
_cell_volume   109.43
_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
  Sr  Sr2  1  0.67  0.0  0.92  1.0
  Sr  Sr3  1  0.0  0.67  0.92  1.0
  Hg  Hg0  1  0.0  0.0  0.84  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Sr2HgRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   134.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2HgRu
_chemical_formula_sum   'Sr4 Hg2 Ru2'
_cell_volume   218.86
_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
  Sr  Sr0  4  0.42  0.33  0.75  1.0
  Hg  Hg1  2  0.16  0.0  0.16  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0

Sr Sr Hg Ru