data_CrCdPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.36
_cell_length_c   2.79
_cell_angle_alpha   77.71
_cell_angle_beta   76.94
_cell_angle_gamma   25.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdPd
_chemical_formula_sum   'Cr1 Cd1 Pd1'
_cell_volume   47.16
_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  0.94  0.01  0.9  1.0
  Cd  Cd0  1  0.94  0.01  0.06  1.0
  Pd  Pd2  1  0.94  0.01  0.25  1.0

data_CrCdPd
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.79
_cell_length_b   12.1
_cell_length_c   2.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   CrCdPd
_chemical_formula_sum   'Cr2 Cd2 Pd2'
_cell_volume   94.37
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.0  0.9  1.0
  Cd  Cd1  2  0.0  0.0  0.06  1.0
  Pd  Pd2  2  0.0  0.0  0.25  1.0

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