data_ZrCd2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.66
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2W
_chemical_formula_sum   'Zr1 Cd2 W1'
_cell_volume   77.53
_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  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.44  0.33  0.5  1.0
  Cd  Cd1  1  0.44  0.33  0.28  1.0
  W  W2  1  0.0  0.0  0.89  1.0

data_ZrCd2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.66
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2W
_chemical_formula_sum   'Zr1 Cd2 W1'
_cell_volume   77.53
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.44  0.33  0.28  1.0
  Cd  Cd2  1  0.44  0.33  0.5  1.0
  W  W3  1  0.0  0.0  0.89  1.0

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