data_[Tb12Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9582]
_cell_length_b [3.8796]
_cell_length_c [9.6333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Se]
_chemical_formula_sum '[Tb12 Se6]'
_cell_volume [484.0267]
_cell_formula_units_Z [6]
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  0.0675  0.0000  0.2805  1
  Tb  Tb1  4  0.1416  0.5000  0.5663  1
  Tb  Tb2  4  0.1480  0.5000  0.9319  1
  Se  Se3  4  0.2341  0.5000  0.2359  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]