data_SrHgCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgCl2
_chemical_formula_sum   'Sr1 Hg1 Cl2'
_cell_volume   116.61
_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  Hg2  1  0.64  0.0  0.0  1.0
  Cl  Cl0  1  0.82  0.85  0.16  1.0
  Cl  Cl1  1  0.82  0.15  0.16  1.0

data_SrHgCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.33
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrHgCl2
_chemical_formula_sum   'Sr1 Hg1 Cl2'
_cell_volume   116.63
_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  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  -0.0  0.0  0.64  1.0
  Cl  Cl2  2  0.16  0.15  0.82  1.0

Sr Hg Cl Cl