data_[Tb12Be4Se24]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.4812]
_cell_length_b [14.2075]
_cell_length_c [6.2926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3BeSe6]
_chemical_formula_sum '[Tb12 Be4 Se24]'
_cell_volume [1026.4347]
_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  8  0.1717  0.1073  0.0223  1.0
  Tb  Tb1  4  0.0000  0.3746  0.1012  1.0
  Be  Be2  4  0.0000  0.1974  0.4623  1.0
  Se  Se3  8  0.1591  0.4858  0.8032  1.0
  Se  Se4  8  0.1626  0.2594  0.3221  1.0
  Se  Se5  4  0.0000  0.0472  0.3441  1.0
  Se  Se6  4  0.0000  0.2180  0.8119  1.0
]