data_[Cs1Cu2Sb2Te6]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.7690]
_cell_length_b [7.8074]
_cell_length_c [8.3484]
_cell_angle_alpha [64.2032]
_cell_angle_beta [77.6782]
_cell_angle_gamma [71.9776]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsCu2(SbTe3)2]
_chemical_formula_sum '[Cs1 Cu2 Sb2 Te6]'
_cell_volume [431.7073]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1.0
  Cu  Cu1  2  0.0905  0.1449  0.8894  1.0
  Sb  Sb2  2  0.1413  0.0784  0.2401  1.0
  Te  Te3  2  0.0210  0.2359  0.5650  1.0
  Te  Te4  2  0.1433  0.6234  0.9805  1.0
  Te  Te5  2  0.3807  0.8767  0.9867  1.0
]