data_Mg6AlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   59.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6AlZn
_chemical_formula_sum   'Mg6 Al1 Zn1'
_cell_volume   166.45
_cell_formula_units_Z   1
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  0.48  0.32  1.0
  Mg  Mg1  1  0.0  0.52  0.32  1.0
  Mg  Mg2  1  0.0  0.0  0.6  1.0
  Mg  Mg3  1  0.49  0.43  0.48  1.0
  Mg  Mg4  1  0.49  0.57  0.48  1.0
  Mg  Mg5  1  0.49  0.0  0.8  1.0
  Al  Al6  1  0.0  0.0  0.98  1.0
  Zn  Zn7  1  0.49  0.0  0.2  1.0

data_Mg6AlZn
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.19
_cell_length_b   4.98
_cell_length_c   6.22
_cell_angle_alpha   90.0
_cell_angle_beta   119.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Mg6AlZn
_chemical_formula_sum   'Mg6 Al1 Zn1'
_cell_volume   166.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.32  0.0  0.81  1.0
  Mg  Mg1  1  0.32  0.0  0.84  1.0
  Mg  Mg2  1  0.48  0.5  0.91  1.0
  Mg  Mg3  1  0.48  0.5  0.05  1.0
  Mg  Mg4  1  0.6  0.0  0.6  1.0
  Mg  Mg5  1  0.8  0.5  0.8  1.0
  Al  Al6  1  0.98  0.0  0.98  1.0
  Zn  Zn7  1  0.2  0.5  0.2  1.0

Mg Mg Mg Mg Mg Mg Al Zn