data_[Tb12Pr9Sm3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2737]
_cell_length_b [8.2737]
_cell_length_c [20.7729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb4Pr3SmSe8]
_chemical_formula_sum '[Tb12 Pr9 Sm3 Se24]'
_cell_volume [1231.4961]
_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  9  0.0000  0.5000  0.0000  1
  Tb  Tb1  3  -0.0000  -0.0000  0.0000  1
  Pr  Pr2  9  0.0000  0.5000  0.5000  1
  Sm  Sm3  3  0.0000  0.0000  0.5000  1
  Se  Se4  18  0.0033  0.5016  0.2546  1
  Se  Se5  6  0.0000  0.0000  0.2554  1
]