data_[Rb8Tb40C16Br76]
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
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pbcn]
_cell_length_a [12.8714]
_cell_length_b [23.5172]
_cell_length_c [14.6088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [60]
_chemical_formula_structural [Rb2Tb10C4Br19]
_chemical_formula_sum '[Rb8 Tb40 C16 Br76]'
_cell_volume [4422.0848]
_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  0.2250  0.7500  1
  Rb  Rb1  4  0.0000  0.5000  0.0000  1
  Tb  Tb2  8  0.1007  0.1724  0.3123  1
  Tb  Tb3  8  0.1114  0.3260  0.3172  1
  Tb  Tb4  8  0.1163  0.0207  0.3128  1
  Tb  Tb5  8  0.1284  0.2634  0.0868  1
  Tb  Tb6  8  0.1316  0.0870  0.0858  1
  C  C7  8  0.0311  0.0900  0.2093  1
  C  C8  8  0.0314  0.2562  0.2098  1
  Br  Br9  8  0.0045  0.1739  0.9982  1
  Br  Br10  8  0.0071  0.3440  0.4930  1
  Br  Br11  8  0.2354  0.3260  0.6588  1
  Br  Br12  8  0.2366  0.4931  0.6657  1
  Br  Br13  8  0.2369  0.1596  0.6720  1
  Br  Br14  8  0.2439  0.2501  0.8988  1
  Br  Br15  8  0.2457  0.0953  0.4041  1
  Br  Br16  8  0.2485  0.4261  0.4060  1
  Br  Br17  4  0.0000  0.0000  0.0000  1
  Br  Br18  4  0.0000  0.0735  0.7500  1
  Br  Br19  4  0.0000  0.4211  0.2500  1
]