data_[Cs2Al2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2994]
_cell_length_b [4.2997]
_cell_length_c [12.8174]
_cell_angle_alpha [91.9133]
_cell_angle_beta [99.3509]
_cell_angle_gamma [112.4449]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAlSi]
_chemical_formula_sum '[Cs2 Al2 Si2]'
_cell_volume [214.8983]
_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  2  0.0751  0.2072  0.7992  1
  Al  Al1  2  0.2352  0.8219  0.5605  1
  Si  Si2  2  0.3790  0.5342  0.4081  1
]