data_ZrCd2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.48
_cell_angle_alpha   99.95
_cell_angle_beta   99.95
_cell_angle_gamma   32.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2W
_chemical_formula_sum   'Zr1 Cd2 W1'
_cell_volume   79.87
_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  0.45  0.0  0.53  1.0
  Cd  Cd0  1  0.15  0.0  0.29  1.0
  Cd  Cd1  1  0.69  0.0  0.12  1.0
  W  W2  1  0.6  0.0  0.54  1.0

data_ZrCd2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.28
_cell_length_c   5.48
_cell_angle_alpha   99.95
_cell_angle_beta   90.0
_cell_angle_gamma   106.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCd2W
_chemical_formula_sum   'Zr1 Cd2 W1'
_cell_volume   79.87
_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  0.55  0.47  1.0
  Cd  Cd1  1  0.0  0.31  0.88  1.0
  Cd  Cd2  1  0.0  0.85  0.71  1.0
  W  W3  1  0.0  0.4  0.46  1.0

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