data_CdHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.02
_cell_angle_alpha   99.1
_cell_angle_beta   99.1
_cell_angle_gamma   32.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgW2
_chemical_formula_sum   'Cd1 Hg1 W2'
_cell_volume   72.41
_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  0.6  0.0  0.47  1.0
  W  W2  1  0.88  0.0  0.72  1.0
  W  W3  1  0.33  0.0  0.23  1.0

data_CdHgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.02
_cell_length_c   5.22
_cell_angle_alpha   99.1
_cell_angle_beta   106.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdHgW2
_chemical_formula_sum   'Cd1 Hg1 W2'
_cell_volume   72.41
_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  0.0  0.47  0.6  1.0
  W  W2  1  0.0  0.23  0.33  1.0
  W  W3  1  0.0  0.72  0.88  1.0

Cd Hg W W