data_[Tb24C8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1116]
_cell_length_b [11.4500]
_cell_length_c [6.5109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3CSe]
_chemical_formula_sum '[Tb24 C8 Se8]'
_cell_volume [967.0585]
_cell_formula_units_Z [8]
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  0.1039  0.2362  0.1105  1.0
  Tb  Tb1  8  0.1045  0.0812  0.6117  1.0
  Tb  Tb2  8  0.1108  0.3951  0.6274  1.0
  Se  Se3  8  0.2443  0.4178  0.0113  1.0
  C  C4  4  0.0000  0.0789  0.2500  1.0
  C  C5  4  0.0000  0.2510  0.7500  1.0
]