data_[Tb4Cu4Sn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.3894]
_cell_length_b [4.1794]
_cell_length_c [11.7051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TbCuSnSe3]
_chemical_formula_sum '[Tb4 Cu4 Sn4 Se12]'
_cell_volume [557.1771]
_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  4  0.0190  0.7500  0.6871  1
  Cu  Cu1  4  0.2405  0.2500  0.7964  1
  Sn  Sn2  4  0.1881  0.7500  0.9937  1
  Se  Se3  4  0.0378  0.2500  0.8638  1
  Se  Se4  4  0.1006  0.7500  0.4387  1
  Se  Se5  4  0.2218  0.2500  0.1876  1
]