data_[Sr12Mg4Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7272]
_cell_length_b [11.1197]
_cell_length_c [9.5974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr3MgAl2]
_chemical_formula_sum '[Sr12 Mg4 Al8]'
_cell_volume [789.4363]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.2116  0.6238  0.7291  1
  Sr  Sr1  4  0.2601  0.0449  0.8886  1
  Sr  Sr2  4  0.3387  0.1405  0.5270  1
  Mg  Mg3  4  0.1000  0.6216  0.0648  1
  Al  Al4  4  0.0936  0.1790  0.1753  1
  Al  Al5  4  0.4839  0.1274  0.2461  1
]