data_Mg2CdCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   144.85
_cell_angle_beta   129.94
_cell_angle_gamma   62.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdCu
_chemical_formula_sum   'Mg2 Cd1 Cu1'
_cell_volume   74.6
_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  Mg2  1  0.68  0.0  0.25  1.0
  Mg  Mg3  1  0.0  0.0  0.08  1.0
  Cd  Cd0  1  0.68  0.0  0.51  1.0
  Cu  Cu1  1  0.0  0.0  0.38  1.0

data_Mg2CdCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.7
_cell_length_c   5.55
_cell_angle_alpha   115.03
_cell_angle_beta   107.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdCu
_chemical_formula_sum   'Mg2 Cd1 Cu1'
_cell_volume   74.6
_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  0.42  0.75  0.42  1.0
  Mg  Mg1  1  0.92  0.92  0.92  1.0
  Cd  Cd2  1  0.16  0.49  0.16  1.0
  Cu  Cu3  1  0.62  0.62  0.62  1.0

Mg Mg Cd Cu