data_[Cs3Si6Te24As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.3141]
_cell_length_b [6.3141]
_cell_length_c [42.0611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsSi2Te8As]
_chemical_formula_sum '[Cs3 Si6 Te24 As3]'
_cell_volume [1452.2128]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1
  Si  Si1  6  0.0000  0.0000  0.2597  1
  Te  Te2  18  0.0035  0.3924  0.2813  1
  Te  Te3  6  0.0000  0.0000  0.2021  1
  As  As4  3  0.0000  0.0000  0.0000  1
]