data_Sr2HgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   3.74
_cell_angle_alpha   90.69
_cell_angle_beta   90.69
_cell_angle_gamma   90.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HgCl
_chemical_formula_sum   'Sr2 Hg1 Cl1'
_cell_volume   125.27
_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  Sr2  1  0.01  0.06  0.87  1.0
  Sr  Sr3  1  0.01  0.94  0.87  1.0
  Hg  Hg1  1  0.08  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sr2HgCl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.74
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Sr2HgCl
_chemical_formula_sum   'Sr2 Hg1 Cl1'
_cell_volume   125.28
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.87  0.06  0.01  1.0
  Hg  Hg1  1  0.0  0.0  0.08  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

Sr Sr Hg Cl