data_SrHgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.65
_cell_angle_alpha   105.5
_cell_angle_beta   105.5
_cell_angle_gamma   47.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgGe2
_chemical_formula_sum   'Sr1 Hg1 Ge2'
_cell_volume   109.59
_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  Sr3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.99  0.0  0.7  1.0
  Ge  Ge0  1  0.42  0.0  0.55  1.0
  Ge  Ge1  1  0.57  0.0  0.85  1.0

data_SrHgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   5.26
_cell_length_c   5.65
_cell_angle_alpha   105.5
_cell_angle_beta   90.0
_cell_angle_gamma   113.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHgGe2
_chemical_formula_sum   'Sr1 Hg1 Ge2'
_cell_volume   109.59
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.01  0.3  1.0
  Ge  Ge2  1  0.0  0.43  0.15  1.0
  Ge  Ge3  1  0.0  0.58  0.45  1.0

Sr Hg Ge Ge