data_SrHgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   2.89
_cell_angle_alpha   103.19
_cell_angle_beta   103.19
_cell_angle_gamma   120.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgOs2
_chemical_formula_sum   'Sr1 Hg1 Os2'
_cell_volume   76.84
_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  0.93  0.0  0.0  1.0
  Os  Os1  1  0.8  0.45  0.29  1.0
  Os  Os2  1  0.8  0.55  0.29  1.0

data_SrHgOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.22
_cell_length_c   5.88
_cell_angle_alpha   115.73
_cell_angle_beta   103.19
_cell_angle_gamma   92.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgOs2
_chemical_formula_sum   'Sr1 Hg1 Os2'
_cell_volume   76.84
_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  -0.0  0.0  0.93  1.0
  Os  Os2  1  0.74  0.45  0.26  1.0
  Os  Os3  1  0.83  0.55  0.35  1.0

Sr Hg Os Os
Sr Hg Os Os 0 1 - o o 2 3 o o o 