data_[Rb4Tb4Cu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [9.4022]
_cell_length_b [12.4962]
_cell_length_c [10.5865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.1794]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbTbCuBr5]
_chemical_formula_sum '[Rb4 Tb4 Cu4 Br20]'
_cell_volume [1143.4220]
_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
[
  Rb  Rb0  4  0.0000  0.3523  0.2500  1.0
  Tb  Tb1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.3098  0.7500  1.0
  Br  Br3  8  0.1076  0.2043  0.6112  1.0
  Br  Br4  8  0.1934  0.4273  0.9272  1.0
  Br  Br5  4  0.0000  0.0786  0.2500  1.0
]