data_[Tb3Sm6Tm3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2820]
_cell_length_b [7.2820]
_cell_length_c [19.5107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [TbSm2TmSe6]
_chemical_formula_sum '[Tb3 Sm6 Tm3 Se18]'
_cell_volume [895.9894]
_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  0.3184  1.0
  Sm  Sm1  3  0.0000  0.0000  0.0179  1.0
  Sm  Sm2  3  0.0000  0.0000  0.5171  1.0
  Tm  Tm3  3  0.0000  0.0000  0.8196  1.0
  Se  Se4  9  0.0119  0.3064  0.9144  1.0
  Se  Se5  9  0.0165  0.7034  0.4153  1.0
]