data_[Tb8Be2I10]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1886]
_cell_length_b [4.0725]
_cell_length_c [8.8845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb4BeI5]
_chemical_formula_sum '[Tb8 Be2 I10]'
_cell_volume [677.4629]
_cell_formula_units_Z [2]
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  0.0006  0.0000  0.7901  1
  Tb  Tb1  4  0.1420  0.5000  0.0728  1
  Be  Be2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1664  0.0000  0.3427  1
  I  I4  4  0.1742  0.0000  0.8270  1
  I  I5  2  0.0000  0.5000  0.5000  1
]