data_Cd4Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   99.35
_cell_angle_beta   99.35
_cell_angle_gamma   132.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd4Pd
_chemical_formula_sum   'Cd4 Pd1'
_cell_volume   98.13
_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
  Cd  Cd0  1  0.99  0.7  0.12  1.0
  Cd  Cd1  1  0.1  0.41  0.0  1.0
  Cd  Cd2  1  0.41  0.7  0.0  1.0
  Cd  Cd3  1  0.3  0.99  0.12  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0

data_Cd4Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   80.65
_cell_angle_beta   66.23
_cell_angle_gamma   66.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd4Pd
_chemical_formula_sum   'Cd4 Pd1'
_cell_volume   98.13
_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
  Cd  Cd0  1  0.41  -0.0  0.69  1.0
  Cd  Cd1  1  0.58  0.12  0.3  1.0
  Cd  Cd2  1  0.7  0.0  0.7  1.0
  Cd  Cd3  1  0.87  0.12  0.31  1.0
  Pd  Pd4  1  0.0  0.0  0.0  1.0

Cd Cd Cd Cd Pd