data_[Cs4Tb4Cu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5969]
_cell_length_b [12.6554]
_cell_length_c [10.6803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsTbCuBr5]
_chemical_formula_sum '[Cs4 Tb4 Cu4 Br20]'
_cell_volume [1192.6578]
_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  0.3489  0.7500  1.0
  Tb  Tb1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3082  0.2500  1.0
  Br  Br3  8  0.0983  0.2044  0.1059  1.0
  Br  Br4  8  0.2003  0.4232  0.4206  1.0
  Br  Br5  4  0.0000  0.0694  0.7500  1.0
]