data_Mg2AlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   6.26
_cell_angle_alpha   122.68
_cell_angle_beta   122.68
_cell_angle_gamma   33.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlCl
_chemical_formula_sum   'Mg2 Al1 Cl1'
_cell_volume   89.26
_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  Mg2  1  0.89  0.0  0.79  1.0
  Mg  Mg3  1  0.29  0.0  0.38  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.59  0.0  0.59  1.0

data_Mg2AlCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.59
_cell_length_c   5.72
_cell_angle_alpha   67.21
_cell_angle_beta   73.63
_cell_angle_gamma   73.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlCl
_chemical_formula_sum   'Mg2 Al1 Cl1'
_cell_volume   89.26
_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  0.1  0.79  1.0
  Mg  Mg1  1  0.0  0.91  0.38  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.01  0.59  1.0

Mg Mg Al Cl