data_[Tb8Be2Se6]
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 [Cmmm]
_cell_length_a [8.3511]
_cell_length_b [11.5686]
_cell_length_c [3.9861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb4BeSe3]
_chemical_formula_sum '[Tb8 Be2 Se6]'
_cell_volume [385.1033]
_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  0.0000  0.2403  0.5000  1
  Tb  Tb1  4  0.2362  0.0000  0.0000  1
  Be  Be2  2  0.0000  0.0000  0.5000  1
  Se  Se3  4  0.2500  0.2500  0.0000  1
  Se  Se4  2  0.0000  0.5000  0.5000  1
]