data_Sr2HgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   7.71
_cell_angle_alpha   103.85
_cell_angle_beta   103.85
_cell_angle_gamma   50.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HgGe
_chemical_formula_sum   'Sr2 Hg1 Ge1'
_cell_volume   142.59
_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  0.21  0.0  0.63  1.0
  Sr  Sr3  1  0.73  0.0  0.8  1.0
  Hg  Hg1  1  0.47  0.0  0.72  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Sr2HgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.98
_cell_length_c   7.71
_cell_angle_alpha   103.85
_cell_angle_beta   90.0
_cell_angle_gamma   115.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2HgGe
_chemical_formula_sum   'Sr2 Hg1 Ge1'
_cell_volume   142.59
_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  Sr0  1  0.0  0.27  0.2  1.0
  Sr  Sr1  1  0.0  0.79  0.37  1.0
  Hg  Hg2  1  0.0  0.53  0.28  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Sr Sr Hg Ge
Sr Sr Hg Ge 0 2 o o o 1 2 o o o 1 3 + o + 