data_[Mg2Al10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4716]
_cell_length_b [3.0262]
_cell_length_c [6.9529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgAl5]
_chemical_formula_sum '[Mg2 Al10]'
_cell_volume [211.0457]
_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  2  0.3868  0.0000  0.2745  1.0
  Al  Al1  2  0.0082  0.0000  0.9985  1.0
  Al  Al2  2  0.0616  0.0000  0.6186  1.0
  Al  Al3  2  0.1653  0.5000  0.3376  1.0
  Al  Al4  2  0.2231  0.5000  0.9347  1.0
  Al  Al5  2  0.3375  0.0000  0.6694  1.0
]