data_[Cs2Tm6Ag4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.4227]
_cell_length_b [4.4512]
_cell_length_c [9.4893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsTm3(AgTe3)2]
_chemical_formula_sum '[Cs2 Tm6 Ag4 Te12]'
_cell_volume [844.4856]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Tm  Tm1  4  0.1729  0.0000  0.8355  1.0
  Tm  Tm2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  4  0.2427  0.5000  0.3923  1.0
  Te  Te4  4  0.0228  0.0000  0.7236  1.0
  Te  Te5  4  0.1603  0.5000  0.5836  1.0
  Te  Te6  4  0.1778  0.5000  0.0618  1.0
]