data_ZrCdW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.54
_cell_angle_alpha   94.0
_cell_angle_beta   94.0
_cell_angle_gamma   31.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdW2
_chemical_formula_sum   'Zr1 Cd1 W2'
_cell_volume   74.33
_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
  Zr  Zr3  1  0.64  0.0  0.75  1.0
  Cd  Cd0  1  0.18  0.0  0.38  1.0
  W  W1  1  0.65  0.0  0.44  1.0
  W  W2  1  0.15  0.0  0.24  1.0

data_ZrCdW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.07
_cell_length_c   5.54
_cell_angle_alpha   94.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCdW2
_chemical_formula_sum   'Zr1 Cd1 W2'
_cell_volume   74.33
_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
  Zr  Zr0  1  0.0  0.36  0.25  1.0
  Cd  Cd1  1  0.0  0.82  0.62  1.0
  W  W2  1  0.0  0.35  0.56  1.0
  W  W3  1  0.0  0.85  0.76  1.0

Zr Cd W W
Zr Cd W W 0 2 o o o 1 3 o o o 