data_[Sr4Mg4Al4]
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 [C2/m]
_cell_length_a [11.6839]
_cell_length_b [4.9810]
_cell_length_c [8.1362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.6157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrMgAl]
_chemical_formula_sum '[Sr4 Mg4 Al4]'
_cell_volume [348.4583]
_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  0.0545  0.5000  0.8049  1.0
  Mg  Mg1  4  0.1772  0.0000  0.5942  1.0
  Al  Al2  4  0.1496  0.0000  0.1960  1.0
]