data_[Tb4Be4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Be  1.5700  1.0500  0.5900
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9286]
_cell_length_b [9.3793]
_cell_length_c [9.7911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbBeCl5]
_chemical_formula_sum '[Tb4 Be4 Cl20]'
_cell_volume [797.1601]
_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
[
  Tb  Tb0  4  0.2500  0.2500  0.5000  1
  Be  Be1  4  0.0000  0.3629  0.7500  1
  Cl  Cl2  8  0.1071  0.2264  0.6697  1
  Cl  Cl3  8  0.1607  0.4784  0.9316  1
  Cl  Cl4  4  0.0000  0.1540  0.2500  1
]