data_Mg2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   103.66
_cell_angle_beta   103.66
_cell_angle_gamma   121.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn
_chemical_formula_sum   'Mg4 Zn2'
_cell_volume   119.33
_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  0.07  0.29  0.64  1.0
  Mg  Mg1  1  0.29  0.07  0.0  1.0
  Mg  Mg2  1  0.07  0.43  0.0  1.0
  Mg  Mg3  1  0.29  0.93  0.64  1.0
  Zn  Zn4  1  0.0  0.0  0.32  1.0
  Zn  Zn5  1  0.0  0.0  0.96  1.0

data_Mg2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.28
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   76.34
_cell_angle_beta   60.93
_cell_angle_gamma   60.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn
_chemical_formula_sum   'Mg4 Zn2'
_cell_volume   119.33
_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  0.07  0.21  0.0  1.0
  Mg  Mg1  1  0.29  0.79  0.36  1.0
  Mg  Mg2  1  0.43  0.64  0.0  1.0
  Mg  Mg3  1  0.93  0.36  0.36  1.0
  Zn  Zn4  1  0.0  0.0  0.04  1.0
  Zn  Zn5  1  0.0  0.0  0.68  1.0

Mg Mg Mg Mg Zn Zn