data_Zr5Cd4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11
_cell_length_b   7.11
_cell_length_c   7.11
_cell_angle_alpha   95.34
_cell_angle_beta   95.34
_cell_angle_gamma   144.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Cd4
_chemical_formula_sum   'Zr5 Cd4'
_cell_volume   198.56
_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  Zr4  1  0.0  0.0  0.0  1.0
  Zr  Zr5  1  0.2  0.2  0.0  1.0
  Zr  Zr6  1  0.41  0.59  0.17  1.0
  Zr  Zr7  1  0.59  0.41  0.17  1.0
  Zr  Zr8  1  0.59  0.59  0.17  1.0
  Cd  Cd0  1  0.0  0.23  0.0  1.0
  Cd  Cd1  1  0.0  0.34  0.0  1.0
  Cd  Cd2  1  0.23  0.0  0.0  1.0
  Cd  Cd3  1  0.34  0.0  0.0  1.0

data_Zr5Cd4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   13.54
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr5Cd4
_chemical_formula_sum   'Zr10 Cd8'
_cell_volume   397.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.0  0.41  0.83  1.0
  Zr  Zr1  2  0.0  0.0  0.0  1.0
  Zr  Zr2  2  0.3  0.5  0.0  1.0
  Zr  Zr3  2  0.41  0.0  0.83  1.0
  Cd  Cd4  4  0.33  0.33  -0.0  1.0
  Cd  Cd5  4  0.39  0.39  -0.0  1.0

Zr Zr Zr Zr Zr Cd Cd Cd Cd