data_Mg2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   7.11
_cell_angle_alpha   103.32
_cell_angle_beta   103.32
_cell_angle_gamma   31.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn
_chemical_formula_sum   'Mg4 Zn2'
_cell_volume   119.09
_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  0.81  0.0  0.84  1.0
  Mg  Mg1  1  0.67  0.0  0.12  1.0
  Mg  Mg2  1  0.6  0.0  0.7  1.0
  Mg  Mg3  1  0.14  0.0  0.57  1.0
  Zn  Zn4  1  0.92  0.0  0.03  1.0
  Zn  Zn5  1  0.79  0.0  0.3  1.0

data_Mg2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.71
_cell_length_c   7.11
_cell_angle_alpha   103.32
_cell_angle_beta   90.0
_cell_angle_gamma   105.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn
_chemical_formula_sum   'Mg4 Zn2'
_cell_volume   119.09
_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  0.19  0.16  1.0
  Mg  Mg1  1  0.0  0.33  0.88  1.0
  Mg  Mg2  1  0.0  0.4  0.3  1.0
  Mg  Mg3  1  0.0  0.86  0.43  1.0
  Zn  Zn4  1  0.0  0.08  0.97  1.0
  Zn  Zn5  1  0.0  0.21  0.7  1.0

Mg Mg Mg Mg Zn Zn
Mg Mg Mg Mg Zn Zn 0 2 o o o 0 4 o o + 0 3 + o o 1 5 o o o 2 3 o o o 3 5 - o o 