data_[Al1Sn3As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.0218]
_cell_length_b [7.0626]
_cell_length_c [17.3631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Al(SnAs)3]
_chemical_formula_sum '[Al1 Sn3 As3]'
_cell_volume [738.4392]
_cell_formula_units_Z [1]
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  1  0.8102  0.5000  0.5369  1
  Sn  Sn1  2  0.1180  0.2222  0.4772  1
  Sn  Sn2  1  0.4838  0.5000  0.4225  1
  As  As3  2  0.5042  0.2532  0.5586  1
  As  As4  1  0.6164  0.0000  0.4691  1
]