data_SrHg2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   3.72
_cell_angle_alpha   91.59
_cell_angle_beta   91.59
_cell_angle_gamma   101.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg2Ru
_chemical_formula_sum   'Sr1 Hg2 Ru1'
_cell_volume   90.47
_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  Sr3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.5  0.07  0.86  1.0
  Hg  Hg1  1  0.5  0.93  0.86  1.0
  Ru  Ru2  1  0.16  0.0  0.0  1.0

data_SrHg2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   101.33
_cell_angle_beta   91.59
_cell_angle_gamma   91.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg2Ru
_chemical_formula_sum   'Sr1 Hg2 Ru1'
_cell_volume   90.47
_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  Sr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.86  0.5  0.07  1.0
  Hg  Hg2  1  0.86  0.5  0.93  1.0
  Ru  Ru3  1  0.0  0.16  0.0  1.0

Sr Hg Hg Ru