data_Mg2Zn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   13.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn2Cu
_chemical_formula_sum   'Mg4 Zn4 Cu2'
_cell_volume   193.83
_cell_formula_units_Z   2
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  0.87  0.0  0.12  1.0
  Mg  Mg3  1  0.0  0.87  0.74  1.0
  Mg  Mg4  1  0.0  0.0  0.0  1.0
  Mg  Mg5  1  0.87  0.87  0.0  1.0
  Zn  Zn6  1  0.87  0.0  0.74  1.0
  Zn  Zn7  1  0.0  0.87  0.12  1.0
  Zn  Zn8  1  0.0  0.0  0.93  1.0
  Zn  Zn9  1  0.87  0.87  0.93  1.0
  Cu  Cu0  1  0.87  0.0  0.22  1.0
  Cu  Cu1  1  0.0  0.87  0.64  1.0

data_Mg2Zn2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   13.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2Zn2Cu
_chemical_formula_sum   'Mg8 Zn8 Cu4'
_cell_volume   387.66
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.43  0.43  0.0  1.0
  Mg  Mg1  2  0.0  0.0  0.74  1.0
  Mg  Mg2  2  0.37  0.5  0.12  1.0
  Zn  Zn3  4  0.43  0.43  0.93  1.0
  Zn  Zn4  2  0.0  0.0  0.12  1.0
  Zn  Zn5  2  0.37  0.5  0.74  1.0
  Cu  Cu6  2  0.0  0.0  0.64  1.0
  Cu  Cu7  2  0.37  0.5  0.22  1.0

Mg Mg Mg Mg Zn Zn Zn Zn Cu Cu