data_Cd5Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   7.66
_cell_angle_alpha   110.41
_cell_angle_beta   110.41
_cell_angle_gamma   29.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Hg
_chemical_formula_sum   'Cd5 Hg1'
_cell_volume   137.29
_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  0.27  0.0  0.14  1.0
  Cd  Cd1  1  0.38  0.0  0.15  1.0
  Cd  Cd2  1  0.19  0.0  0.76  1.0
  Cd  Cd3  1  0.34  0.0  0.77  1.0
  Cd  Cd4  1  0.1  0.0  0.41  1.0
  Hg  Hg5  1  0.21  0.0  0.4  1.0

data_Cd5Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   6.25
_cell_length_c   7.66
_cell_angle_alpha   110.41
_cell_angle_beta   90.0
_cell_angle_gamma   104.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd5Hg
_chemical_formula_sum   'Cd5 Hg1'
_cell_volume   137.29
_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  0.62  0.85  1.0
  Cd  Cd1  1  0.0  0.66  0.23  1.0
  Cd  Cd2  1  0.0  0.73  0.86  1.0
  Cd  Cd3  1  0.0  0.81  0.24  1.0
  Cd  Cd4  1  0.0  0.9  0.59  1.0
  Hg  Hg5  1  0.0  0.79  0.6  1.0

Cd Cd Cd Cd Cd Hg
Cd Cd Cd Cd Cd Hg 0 1 o o o 2 3 o o o 4 5 o o o 