data_[Ba8Tb4Bi4Se20]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4447]
_cell_length_b [18.4644]
_cell_length_c [14.1132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2TbBiSe5]
_chemical_formula_sum '[Ba8 Tb4 Bi4 Se20]'
_cell_volume [1158.2575]
_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  0.0000  0.1058  0.6798  1.0
  Ba  Ba1  4  0.0000  0.1411  0.3041  1.0
  Tb  Tb2  4  0.0000  0.2145  0.0211  1.0
  Bi  Bi3  4  0.0000  0.4668  0.4524  1.0
  Se  Se4  4  0.0000  0.0627  0.0702  1.0
  Se  Se5  4  0.0000  0.2792  0.6550  1.0
  Se  Se6  4  0.0000  0.3182  0.3840  1.0
  Se  Se7  4  0.0000  0.3678  0.9951  1.0
  Se  Se8  4  0.0000  0.4895  0.7623  1.0
]