data_Mg2Zn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   3.69
_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   183.07
_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  0.4  0.93  0.0  1.0
  Mg  Mg3  1  0.64  0.12  0.0  1.0
  Mg  Mg4  1  0.12  0.4  0.0  1.0
  Mg  Mg5  1  0.93  0.64  0.0  1.0
  Zn  Zn6  1  0.99  0.52  0.84  1.0
  Zn  Zn7  1  0.05  0.53  0.84  1.0
  Zn  Zn8  1  0.53  0.99  0.84  1.0
  Zn  Zn9  1  0.52  0.05  0.84  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.52  0.52  0.0  1.0

data_Mg2Zn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   7.05
_cell_length_c   7.05
_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   183.07
_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  Mg0  1  -0.0  0.4  0.93  1.0
  Mg  Mg1  1  -0.0  0.93  0.64  1.0
  Mg  Mg2  1  -0.0  0.12  0.4  1.0
  Mg  Mg3  1  -0.0  0.64  0.12  1.0
  Zn  Zn4  1  0.84  0.05  0.53  1.0
  Zn  Zn5  1  0.84  0.52  0.05  1.0
  Zn  Zn6  1  0.84  0.53  0.99  1.0
  Zn  Zn7  1  0.84  0.99  0.52  1.0
  Cu  Cu8  1  -0.0  0.52  0.52  1.0
  Cu  Cu9  1  0.0  0.0  0.0  1.0

Mg Mg Mg Mg Zn Zn Zn Zn Cu Cu