data_[Tb6Ce3Y3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3126]
_cell_length_b [7.3126]
_cell_length_c [19.5972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tb2CeYSe6]
_chemical_formula_sum '[Tb6 Ce3 Y3 Se18]'
_cell_volume [907.5494]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4842  1.0
  Tb  Tb1  3  0.0000  0.0000  0.9870  1.0
  Ce  Ce2  3  0.0000  0.0000  0.1861  1.0
  Y  Y3  3  0.0000  0.0000  0.6820  1.0
  Se  Se4  9  0.0008  0.3072  0.0829  1.0
  Se  Se5  9  0.0165  0.7108  0.5835  1.0
]