data_[Ba4Na4Tb4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Tb  1.1000  1.7500  0.9815
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.8951]
_cell_length_b [4.4136]
_cell_length_c [14.3160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaNaTbSe3]
_chemical_formula_sum '[Ba4 Na4 Tb4 Se12]'
_cell_volume [688.4072]
_cell_formula_units_Z [4]
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  4  0.2476  0.7500  0.9968  1
  Na  Na1  4  0.2460  0.2500  0.2232  1
  Tb  Tb2  4  0.0041  0.2500  0.7492  1
  Se  Se3  4  0.0419  0.2500  0.1162  1
  Se  Se4  4  0.0502  0.7500  0.6151  1
  Se  Se5  4  0.2463  0.7500  0.3290  1
]