data_Zr5Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   143.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Cd
_chemical_formula_sum   'Zr5 Cd1'
_cell_volume   135.99
_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  Zr1  1  0.25  0.25  0.0  1.0
  Zr  Zr2  1  0.25  0.52  0.23  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Zr  Zr4  1  0.25  0.48  0.23  1.0
  Zr  Zr5  1  0.25  0.75  0.0  1.0
  Cd  Cd0  1  0.25  0.0  0.23  1.0

data_Zr5Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.5
_cell_length_c   7.14
_cell_angle_alpha   108.36
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Cd
_chemical_formula_sum   'Zr5 Cd1'
_cell_volume   135.99
_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
  Zr  Zr1  1  0.0  0.75  0.99  1.0
  Zr  Zr2  1  0.0  0.25  0.5  1.0
  Zr  Zr3  1  0.23  0.48  0.73  1.0
  Zr  Zr4  1  0.23  0.52  0.77  1.0
  Cd  Cd5  1  0.23  0.0  0.25  1.0

Zr Zr Zr Zr Zr Cd
Zr Zr Zr Zr Zr Cd 0 2 o o o 0 5 o o o 1 3 o o o 1 4 o o o 2 5 o o o 3 4 o o o 4 5 o + o 