data_CaZnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   4.49
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnPd
_chemical_formula_sum   'Ca4 Zn4 Pd4'
_cell_volume   247.59
_cell_formula_units_Z   4
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
  Ca  Ca0  1  0.66  0.12  0.21  1.0
  Ca  Ca1  1  0.5  0.37  0.48  1.0
  Ca  Ca2  1  0.08  0.37  0.37  1.0
  Ca  Ca3  1  0.08  0.12  0.33  1.0
  Zn  Zn4  1  0.77  0.12  0.26  1.0
  Zn  Zn5  1  0.39  0.37  0.43  1.0
  Zn  Zn6  1  0.98  0.37  0.11  1.0
  Zn  Zn7  1  0.19  0.12  0.59  1.0
  Pd  Pd8  1  0.68  0.12  0.79  1.0
  Pd  Pd9  1  0.49  0.37  0.91  1.0
  Pd  Pd10  1  0.07  0.37  0.63  1.0
  Pd  Pd11  1  0.1  0.12  0.06  1.0

data_CaZnPd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.49
_cell_length_b   7.16
_cell_length_c   7.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CaZnPd
_chemical_formula_sum   'Ca4 Zn4 Pd4'
_cell_volume   247.59
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ca  Ca0  2  0.38  0.5  0.48  1.0
  Ca  Ca1  2  0.38  0.08  0.37  1.0
  Zn  Zn2  2  0.38  0.61  0.74  1.0
  Zn  Zn3  2  0.38  0.19  0.41  1.0
  Pd  Pd4  2  0.38  0.51  0.21  1.0
  Pd  Pd5  2  0.38  0.1  0.94  1.0

Ca Ca Ca Ca Zn Zn Zn Zn Pd Pd Pd Pd