data_Hg2OsRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   6.94
_cell_angle_alpha   99.87
_cell_angle_beta   99.87
_cell_angle_gamma   38.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2OsRu
_chemical_formula_sum   'Hg2 Os1 Ru1'
_cell_volume   78.28
_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
  Hg  Hg0  1  0.87  0.0  0.67  1.0
  Hg  Hg1  1  0.77  0.0  0.86  1.0
  Os  Os2  1  0.34  0.0  0.78  1.0
  Ru  Ru3  1  0.19  0.0  0.76  1.0

data_Hg2OsRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.3
_cell_length_c   6.94
_cell_angle_alpha   99.87
_cell_angle_beta   90.0
_cell_angle_gamma   109.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2OsRu
_chemical_formula_sum   'Hg2 Os1 Ru1'
_cell_volume   78.28
_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
  Hg  Hg0  1  0.0  0.13  0.33  1.0
  Hg  Hg1  1  0.0  0.23  0.14  1.0
  Os  Os2  1  0.0  0.66  0.22  1.0
  Ru  Ru3  1  0.0  0.81  0.24  1.0

Hg Hg Os Ru
Hg Hg Os Ru 0 1 o o o 0 3 + o o 2 3 o o o 