data_CrCdPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.86
_cell_angle_alpha   99.6
_cell_angle_beta   99.6
_cell_angle_gamma   33.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdPd2
_chemical_formula_sum   'Cr1 Cd1 Pd2'
_cell_volume   62.11
_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
  Cr  Cr1  1  0.73  0.0  1.0  1.0
  Cd  Cd0  1  0.19  0.0  0.48  1.0
  Pd  Pd2  1  0.03  0.0  0.15  1.0
  Pd  Pd3  1  0.72  0.0  0.56  1.0

data_CrCdPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.85
_cell_length_c   4.86
_cell_angle_alpha   99.6
_cell_angle_beta   90.0
_cell_angle_gamma   106.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdPd2
_chemical_formula_sum   'Cr1 Cd1 Pd2'
_cell_volume   62.11
_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
  Cr  Cr0  1  0.0  0.27  0.0  1.0
  Cd  Cd1  1  0.0  0.81  0.52  1.0
  Pd  Pd2  1  0.0  0.28  0.44  1.0
  Pd  Pd3  1  0.0  0.97  0.85  1.0

Cr Cd Pd Pd
Cr Cd Pd Pd 0 2 + o + 0 3 o o + 0 3 o o o 1 2 o o o 1 3 o o o 1 3 - o o 2 3 - o o 3 3 + - o 