data_[Cs4Al4As4]
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 [10.9785]
_cell_length_b [4.1898]
_cell_length_c [8.7073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsAlAs]
_chemical_formula_sum '[Cs4 Al4 As4]'
_cell_volume [394.1071]
_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
[
  Cs  Cs0  2  0.0680  0.0000  0.6079  1.0
  Cs  Cs1  2  0.2619  0.5000  0.3175  1.0
  Al  Al2  2  0.0633  0.5000  0.9578  1.0
  Al  Al3  2  0.3121  0.5000  0.8962  1.0
  As  As4  2  0.0119  0.0000  0.1082  1.0
  As  As5  2  0.3686  0.0000  0.7465  1.0
]