data_[Tb12Zn4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.4293]
_cell_length_b [14.1990]
_cell_length_c [6.5555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tb3ZnSe6]
_chemical_formula_sum '[Tb12 Zn4 Se24]'
_cell_volume [1063.8564]
_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  0.1760  0.1043  0.9769  1.0
  Tb  Tb1  4  0.0000  0.3875  0.8935  1.0
  Zn  Zn2  4  0.0000  0.1999  0.5272  1.0
  Se  Se3  8  0.1612  0.4795  0.1861  1.0
  Se  Se4  8  0.1734  0.2657  0.7033  1.0
  Se  Se5  4  0.0000  0.0360  0.6708  1.0
  Se  Se6  4  0.0000  0.2225  0.1613  1.0
]