data_[Tb12Bi4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [11.1497]
_cell_length_b [14.0749]
_cell_length_c [7.1537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3BiSe6]
_chemical_formula_sum '[Tb12 Bi4 Se24]'
_cell_volume [1122.6274]
_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
[
  Tb  Tb0  8  0.1849  0.1001  0.0175  1.0
  Tb  Tb1  4  0.0000  0.4069  0.1185  1.0
  Bi  Bi2  4  0.0000  0.1797  0.5008  1.0
  Se  Se3  8  0.1657  0.4664  0.8226  1.0
  Se  Se4  8  0.1732  0.2702  0.2892  1.0
  Se  Se5  4  0.0000  0.0066  0.2507  1.0
  Se  Se6  4  0.0000  0.2314  0.8860  1.0
]