data_CdHgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   5.41
_cell_length_c   5.18
_cell_angle_alpha   90.0
_cell_angle_beta   91.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgGe2
_chemical_formula_sum   'Cd1 Hg1 Ge2'
_cell_volume   87.7
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.48  0.0  0.59  1.0
  Ge  Ge1  1  0.82  0.7  0.21  1.0
  Ge  Ge2  1  0.14  0.7  0.97  1.0

data_CdHgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.18
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgGe2
_chemical_formula_sum   'Cd1 Hg1 Ge2'
_cell_volume   87.7
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.52  0.41  0.0  1.0
  Ge  Ge2  1  0.18  0.79  0.3  1.0
  Ge  Ge3  1  0.86  0.03  0.3  1.0

Cd Hg Ge Ge