data_Sn2HgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   149.72
_cell_angle_beta   136.22
_cell_angle_gamma   54.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgGe
_chemical_formula_sum   'Sn2 Hg1 Ge1'
_cell_volume   104.22
_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
  Sn  Sn2  1  0.75  0.0  0.45  1.0
  Sn  Sn3  1  0.0  0.5  0.51  1.0
  Hg  Hg1  1  0.0  0.0  0.96  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Sn2HgGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.99
_cell_length_c   6.7
_cell_angle_alpha   111.89
_cell_angle_beta   105.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgGe
_chemical_formula_sum   'Sn2 Hg1 Ge1'
_cell_volume   104.22
_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
  Sn  Sn0  1  0.0  0.45  0.7  1.0
  Sn  Sn1  1  0.5  0.02  0.02  1.0
  Hg  Hg2  1  0.0  0.96  0.96  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Sn Sn Hg Ge