data_SrCd2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   57.62
_cell_angle_beta   57.62
_cell_angle_gamma   57.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCd2Hg
_chemical_formula_sum   'Sr1 Cd2 Hg1'
_cell_volume   108.54
_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  0.18  1.0
  Cd  Cd0  1  0.0  0.0  0.45  1.0
  Cd  Cd1  1  0.0  0.0  0.41  1.0
  Hg  Hg2  1  0.0  0.0  0.9  1.0

data_SrCd2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   9.11
_cell_length_b   5.26
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   123.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCd2Hg
_chemical_formula_sum   'Sr2 Cd4 Hg2'
_cell_volume   217.08
_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  0.18  1.0
  Cd  Cd1  2  -0.0  0.0  0.41  1.0
  Cd  Cd2  2  -0.0  0.0  0.45  1.0
  Hg  Hg3  2  0.0  0.0  0.9  1.0

Sr Cd Cd Hg