data_Cd2AgHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.89
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   100.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2AgHg
_chemical_formula_sum   'Cd2 Ag1 Hg1'
_cell_volume   85.59
_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
  Cd  Cd1  1  0.06  0.44  0.37  1.0
  Cd  Cd2  1  0.99  0.44  0.28  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.02  0.0  0.82  1.0

data_Cd2AgHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.89
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   100.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2AgHg
_chemical_formula_sum   'Cd2 Ag1 Hg1'
_cell_volume   85.59
_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
  Cd  Cd0  1  0.06  0.44  0.37  1.0
  Cd  Cd1  1  0.99  0.44  0.28  1.0
  Ag  Ag2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.02  0.0  0.82  1.0

Cd Cd Ag Hg