data_HfHg2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.04
_cell_angle_alpha   107.19
_cell_angle_beta   107.19
_cell_angle_gamma   36.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHg2Os
_chemical_formula_sum   'Hf1 Hg2 Os1'
_cell_volume   79.14
_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
  Hf  Hf0  1  0.28  0.0  0.4  1.0
  Hg  Hg1  1  0.48  0.0  0.74  1.0
  Hg  Hg2  1  0.19  0.0  0.64  1.0
  Os  Os3  1  0.13  0.0  0.2  1.0

data_HfHg2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.04
_cell_length_c   5.27
_cell_angle_alpha   107.19
_cell_angle_beta   108.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfHg2Os
_chemical_formula_sum   'Hf1 Hg2 Os1'
_cell_volume   79.14
_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
  Hf  Hf0  1  0.0  0.4  0.28  1.0
  Hg  Hg1  1  0.0  0.64  0.19  1.0
  Hg  Hg2  1  0.0  0.74  0.48  1.0
  Os  Os3  1  0.0  0.2  0.13  1.0

Hf Hg Hg Os