data_HgGe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   4.51
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2Os
_chemical_formula_sum   'Hg1 Ge2 Os1'
_cell_volume   71.33
_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  Hg2  1  0.0  0.25  0.48  1.0
  Ge  Ge0  1  0.59  0.0  0.48  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.59  0.25  0.0  1.0

data_HgGe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.51
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgGe2Os
_chemical_formula_sum   'Hg1 Ge2 Os1'
_cell_volume   71.33
_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  0.25  0.48  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.59  0.0  0.48  1.0
  Os  Os3  1  0.59  0.25  0.0  1.0

Hg Ge Ge Os