data_[Cs4Te4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3759]
_cell_length_b [7.8573]
_cell_length_c [6.3506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTeBr4]
_chemical_formula_sum '[Cs4 Te4 Br16]'
_cell_volume [931.3710]
_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  0.1963  0.0000  0.2014  1
  Te  Te1  4  0.0584  0.5000  0.3529  1
  Br  Br2  8  0.1196  0.2487  0.6048  1
  Br  Br3  4  0.0000  0.2567  0.0000  1
  Br  Br4  4  0.1979  0.5000  0.2100  1
]