data_[Tb4B4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6332]
_cell_length_b [7.5239]
_cell_length_c [11.0463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TbBSe3]
_chemical_formula_sum '[Tb4 B4 Se12]'
_cell_volume [455.6857]
_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  0.2943  0.1284  0.7525  1.0
  B  B1  4  0.3013  0.6503  0.9061  1.0
  Se  Se2  4  0.1071  0.0094  0.2395  1.0
  Se  Se3  4  0.2237  0.6877  0.0518  1.0
  Se  Se4  4  0.4333  0.1952  0.0667  1.0
]