data_Cd2CoHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.86
_cell_length_b   9.86
_cell_length_c   9.86
_cell_angle_alpha   17.81
_cell_angle_beta   17.81
_cell_angle_gamma   17.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2CoHg
_chemical_formula_sum   'Cd2 Co1 Hg1'
_cell_volume   78.36
_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  0.61  1.0
  Cd  Cd1  1  0.0  0.0  0.5  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.0  0.56  1.0

data_Cd2CoHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   3.05
_cell_length_c   9.86
_cell_angle_alpha   90.0
_cell_angle_beta   100.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2CoHg
_chemical_formula_sum   'Cd4 Co2 Hg2'
_cell_volume   156.73
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.5  1.0
  Cd  Cd1  2  0.0  0.0  0.39  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Hg  Hg3  2  0.0  0.0  0.44  1.0

Cd Cd Co Hg