data_Cd2HgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   151.13
_cell_angle_beta   130.11
_cell_angle_gamma   58.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgW
_chemical_formula_sum   'Cd2 Hg1 W1'
_cell_volume   79.81
_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  0.5  0.0  0.49  1.0
  Cd  Cd1  1  0.0  0.54  0.75  1.0
  Hg  Hg2  1  0.0  0.0  0.24  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Cd2HgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.07
_cell_length_c   6.02
_cell_angle_alpha   114.95
_cell_angle_beta   104.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2HgW
_chemical_formula_sum   'Cd2 Hg1 W1'
_cell_volume   79.81
_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  0.51  0.0  1.0
  Cd  Cd1  1  0.25  0.79  0.79  1.0
  Hg  Hg2  1  0.76  0.76  0.76  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Cd Cd Hg W
Cd Cd Hg W 0 1 o - - 0 3 o o o 0 3 + o + 0 2 o o o 1 3 o + + 1 2 o + + 1 2 o o o 2 3 o o o 