data_SrHf2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.21
_cell_length_b   11.21
_cell_length_c   11.21
_cell_angle_alpha   16.85
_cell_angle_beta   16.85
_cell_angle_gamma   16.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHf2Hg
_chemical_formula_sum   'Sr1 Hf2 Hg1'
_cell_volume   103.18
_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
  Hf  Hf0  1  0.0  0.0  0.16  1.0
  Hf  Hf1  1  0.0  0.0  0.97  1.0
  Hg  Hg2  1  0.0  0.0  0.57  1.0

data_SrHf2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   3.28
_cell_length_c   11.21
_cell_angle_alpha   90.0
_cell_angle_beta   99.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrHf2Hg
_chemical_formula_sum   'Sr2 Hf4 Hg2'
_cell_volume   206.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hf  Hf1  2  0.0  0.0  0.03  1.0
  Hf  Hf2  2  0.0  0.0  0.84  1.0
  Hg  Hg3  2  0.0  0.0  0.43  1.0

Sr Hf Hf Hg