data_Mg2CdPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   3.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdPd
_chemical_formula_sum   'Mg2 Cd1 Pd1'
_cell_volume   71.85
_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
  Mg  Mg1  1  0.56  0.28  0.68  1.0
  Mg  Mg2  1  0.56  0.72  0.68  1.0
  Cd  Cd0  1  0.11  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

data_Mg2CdPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   95.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdPd
_chemical_formula_sum   'Mg2 Cd1 Pd1'
_cell_volume   71.85
_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
  Mg  Mg0  1  0.68  0.56  0.28  1.0
  Mg  Mg1  1  0.68  0.56  0.72  1.0
  Cd  Cd2  1  -0.0  0.11  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Mg Mg Cd Pd
Mg Mg Cd Pd 0 1 o o o 2 3 o o o 