data_[Cs4Tm4Ag4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4697]
_cell_length_b [13.1414]
_cell_length_c [10.7037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsTmAgBr5]
_chemical_formula_sum '[Cs4 Tm4 Ag4 Br20]'
_cell_volume [1245.9788]
_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  0.0000  0.3426  0.7500  1.0
  Tm  Tm1  4  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  4  0.0000  0.3114  0.2500  1.0
  Br  Br3  8  0.0962  0.1954  0.0855  1.0
  Br  Br4  8  0.2027  0.4372  0.4356  1.0
  Br  Br5  4  0.0000  0.0615  0.7500  1.0
]