data_MgCdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   4.74
_cell_angle_alpha   104.73
_cell_angle_beta   104.73
_cell_angle_gamma   37.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdAu2
_chemical_formula_sum   'Mg1 Cd1 Au2'
_cell_volume   75.91
_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  Mg3  1  0.02  0.0  0.96  1.0
  Cd  Cd2  1  0.29  0.0  0.42  1.0
  Au  Au0  1  0.98  0.0  0.14  1.0
  Au  Au1  1  0.56  0.0  0.32  1.0

data_MgCdAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.74
_cell_length_c   5.2
_cell_angle_alpha   104.73
_cell_angle_beta   108.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdAu2
_chemical_formula_sum   'Mg1 Cd1 Au2'
_cell_volume   75.91
_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  0.0  0.96  0.02  1.0
  Cd  Cd1  1  0.0  0.42  0.29  1.0
  Au  Au2  1  0.0  0.14  0.98  1.0
  Au  Au3  1  0.0  0.32  0.56  1.0

Mg Cd Au Au