data_SrHg2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   43.82
_cell_angle_beta   43.82
_cell_angle_gamma   43.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHg2Ge
_chemical_formula_sum   'Sr1 Hg2 Ge1'
_cell_volume   111.9
_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  0.61  1.0
  Hg  Hg1  1  0.0  0.0  0.48  1.0
  Hg  Hg2  1  0.0  0.0  0.73  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_SrHg2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.22
_cell_length_b   4.75
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   115.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrHg2Ge
_chemical_formula_sum   'Sr2 Hg4 Ge2'
_cell_volume   223.81
_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  0.61  1.0
  Hg  Hg1  2  0.0  0.0  0.48  1.0
  Hg  Hg2  2  0.0  0.0  0.73  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Sr Hg Hg Ge