data_SrHgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.33
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   96.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgGe2
_chemical_formula_sum   'Sr1 Hg1 Ge2'
_cell_volume   115.53
_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  0.06  0.0  0.8  1.0
  Ge  Ge0  1  0.48  0.17  0.35  1.0
  Ge  Ge1  1  0.64  0.17  0.24  1.0

data_SrHgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.33
_cell_length_b   4.77
_cell_length_c   5.63
_cell_angle_alpha   96.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgGe2
_chemical_formula_sum   'Sr1 Hg1 Ge2'
_cell_volume   115.53
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.94  0.2  1.0
  Ge  Ge2  1  0.83  0.36  0.76  1.0
  Ge  Ge3  1  0.83  0.52  0.65  1.0

Sr Hg Ge Ge