data_[Tb2Y6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8519]
_cell_length_b [7.5353]
_cell_length_c [12.5646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb(YSe2)3]
_chemical_formula_sum '[Tb2 Y6 Se12]'
_cell_volume [544.9271]
_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  2  0.0000  0.0000  0.0000  1
  Y  Y1  4  0.2978  0.1057  0.7506  1
  Y  Y2  2  0.5000  0.0000  0.5000  1
  Se  Se3  4  0.0880  0.0623  0.2505  1
  Se  Se4  4  0.2555  0.6808  0.0847  1
  Se  Se5  4  0.4142  0.1811  0.0841  1
]