data_[Sr12Al8As16]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6282]
_cell_length_b [10.5554]
_cell_length_c [6.8909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr3(AlAs2)2]
_chemical_formula_sum '[Sr12 Al8 As16]'
_cell_volume [991.2380]
_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  8  0.1224  0.1293  0.5383  1.0
  Sr  Sr1  4  0.0000  0.4017  0.2500  1.0
  Al  Al2  8  0.2050  0.3767  0.9192  1.0
  As  As3  8  0.1159  0.1754  0.0247  1.0
  As  As4  8  0.1587  0.4173  0.5737  1.0
]