data_[Cs6Al4As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.1516]
_cell_length_b [13.6294]
_cell_length_c [19.7305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cs3Al2As3]
_chemical_formula_sum '[Cs6 Al4 As6]'
_cell_volume [1923.1843]
_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
[
  Cs  Cs0  4  0.2175  0.8405  0.4147  1
  Cs  Cs1  2  0.2013  0.0000  0.6519  1
  Al  Al2  4  0.2098  0.3795  0.5354  1
  As  As3  4  0.2184  0.4114  0.4122  1
  As  As4  2  0.2014  0.5000  0.6234  1
]