data_CdInPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.47
_cell_angle_alpha   101.49
_cell_angle_beta   101.49
_cell_angle_gamma   39.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInPd2
_chemical_formula_sum   'Cd1 In1 Pd2'
_cell_volume   73.9
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.79  0.0  0.67  1.0
  Pd  Pd2  1  0.27  0.0  0.37  1.0
  Pd  Pd3  1  0.3  0.0  0.98  1.0

data_CdInPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.64
_cell_length_c   5.47
_cell_angle_alpha   101.49
_cell_angle_beta   90.0
_cell_angle_gamma   109.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdInPd2
_chemical_formula_sum   'Cd1 In1 Pd2'
_cell_volume   73.9
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.21  0.33  1.0
  Pd  Pd2  1  0.0  0.7  0.02  1.0
  Pd  Pd3  1  0.0  0.73  0.63  1.0

Cd In Pd Pd
Cd In Pd Pd 0 3 o o - 0 1 - o - 0 2 o o o 2 3 o o - 