data_[Ba3Tb12Sm3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.6401]
_cell_length_b [8.6401]
_cell_length_c [21.3398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaTb4SmSe8]
_chemical_formula_sum '[Ba3 Tb12 Sm3 Se24]'
_cell_volume [1379.6061]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.3735  1
  Tb  Tb1  9  0.1686  0.3373  0.8328  1
  Tb  Tb2  3  0.0000  0.0000  0.6253  1
  Sm  Sm3  3  0.0000  0.0000  0.0019  1
  Se  Se4  9  0.0426  0.5213  0.7573  1
  Se  Se5  9  0.1750  0.3500  0.5798  1
  Se  Se6  3  0.0000  0.0000  0.2323  1
  Se  Se7  3  0.0000  0.0000  0.7573  1
]