data_[Sr8Al8Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3604]
_cell_length_b [4.2323]
_cell_length_c [11.6193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Al2Si]
_chemical_formula_sum '[Sr8 Al8 Si4]'
_cell_volume [557.8189]
_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  0.1076  0.0000  0.8948  1.0
  Sr  Sr1  4  0.2125  0.5000  0.6434  1.0
  Al  Al2  4  0.0331  0.0000  0.4102  1.0
  Al  Al3  4  0.1115  0.5000  0.1170  1.0
  Si  Si4  4  0.0663  0.5000  0.3145  1.0
]