data_[Al4Cd4Sn8As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.6502]
_cell_length_b [9.0214]
_cell_length_c [11.7330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [AlCd(SnAs2)2]
_chemical_formula_sum '[Al4 Cd4 Sn8 As16]'
_cell_volume [915.6133]
_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
[
  Al  Al0  4  0.0000  0.0000  0.4981  1.0
  Cd  Cd1  4  0.0000  0.0000  0.9986  1.0
  Sn  Sn2  8  0.2500  0.2500  0.2466  1.0
  As  As3  8  0.0000  0.2370  0.3852  1.0
  As  As4  8  0.2366  0.0000  0.6197  1.0
]