data_[Cs3Cu6Te3Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.8681]
_cell_length_b [6.8681]
_cell_length_c [31.3046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CsCu2TeBr8]
_chemical_formula_sum '[Cs3 Cu6 Te3 Br24]'
_cell_volume [1278.8412]
_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  1.0
  Cu  Cu1  6  0.0000  0.0000  0.2573  1.0
  Te  Te2  3  0.0000  0.0000  0.0000  1.0
  Br  Br3  18  0.0042  0.3271  0.0524  1.0
  Br  Br4  6  0.0000  0.0000  0.1826  1.0
]