data_[Al4As2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [19.0590]
_cell_length_b [3.7949]
_cell_length_c [18.9653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2AsCl3]
_chemical_formula_sum '[Al4 As2 Cl6]'
_cell_volume [1371.6834]
_cell_formula_units_Z [2]
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  2  0.0993  0.5000  0.5163  1
  Al  Al1  2  0.4627  0.5000  0.4530  1
  As  As2  2  0.0284  0.5000  0.4115  1
  Cl  Cl3  2  0.0613  0.5000  0.6205  1
  Cl  Cl4  2  0.1725  0.0000  0.5095  1
  Cl  Cl5  2  0.3584  0.5000  0.4892  1
]