data_[Cs4Sn4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5401]
_cell_length_b [9.0564]
_cell_length_c [7.5614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7384]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsSnTe4]
_chemical_formula_sum '[Cs4 Sn4 Te16]'
_cell_volume [995.6125]
_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  4  0.2229  0.0000  0.7708  1
  Sn  Sn1  4  0.0241  0.5000  0.8001  1
  Te  Te2  8  0.0708  0.2076  0.3760  1
  Te  Te3  4  0.0000  0.1781  0.0000  1
  Te  Te4  4  0.2105  0.5000  0.7262  1
]