data_MnAl2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   134.63
_cell_angle_beta   134.63
_cell_angle_gamma   66.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl2Cd
_chemical_formula_sum   'Mn1 Al2 Cd1'
_cell_volume   62.99
_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
  Mn  Mn3  1  0.0  0.0  0.21  1.0
  Al  Al0  1  0.0  0.94  0.1  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.94  0.0  0.1  1.0

data_MnAl2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.02
_cell_angle_alpha   112.68
_cell_angle_beta   112.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl2Cd
_chemical_formula_sum   'Mn1 Al2 Cd1'
_cell_volume   62.99
_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
  Mn  Mn0  1  0.79  0.0  0.79  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.83  0.94  0.83  1.0
  Cd  Cd3  1  0.9  0.0  0.83  1.0

Mn Al Al Cd
Mn Al Al Cd 0 3 - o o 0 1 o - o 1 3 - + o 1 2 o + o 2 3 - o o 