data_[Mg2Sc12Al10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8349]
_cell_length_b [14.5412]
_cell_length_c [6.7475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [MgSc6Al5]
_chemical_formula_sum '[Mg2 Sc12 Al10]'
_cell_volume [474.3898]
_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  0.0000  0.0000  0.0000  1
  Sc  Sc1  8  0.0000  0.1696  0.2506  1
  Sc  Sc2  4  0.0000  0.5000  0.2564  1
  Al  Al3  4  0.0000  0.3343  0.5000  1
  Al  Al4  4  0.0000  0.3388  0.0000  1
  Al  Al5  2  0.0000  0.0000  0.5000  1
]