data_MgZn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Cu
_chemical_formula_sum   'Mg2 Zn4 Cu2'
_cell_volume   126.53
_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  0.0  0.0  0.0  1.0
  Mg  Mg3  1  0.0  0.0  0.73  1.0
  Zn  Zn4  1  0.0  0.55  0.81  1.0
  Zn  Zn5  1  0.21  0.28  0.07  1.0
  Zn  Zn6  1  0.21  0.28  0.66  1.0
  Zn  Zn7  1  0.0  0.55  0.39  1.0
  Cu  Cu0  1  0.0  0.55  0.87  1.0
  Cu  Cu1  1  0.21  0.28  0.6  1.0

data_MgZn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   7.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2Cu
_chemical_formula_sum   'Mg2 Zn4 Cu2'
_cell_volume   126.53
_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  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.0  0.73  1.0
  Zn  Zn2  1  0.0  0.55  0.39  1.0
  Zn  Zn3  1  0.0  0.55  0.81  1.0
  Zn  Zn4  1  0.21  0.28  0.07  1.0
  Zn  Zn5  1  0.21  0.28  0.66  1.0
  Cu  Cu6  1  0.0  0.55  0.87  1.0
  Cu  Cu7  1  0.21  0.28  0.6  1.0

Mg Mg Zn Zn Zn Zn Cu Cu