data_[Tb4Sm8Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1295]
_cell_length_b [17.4236]
_cell_length_c [12.5128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbSm2AgSe5]
_chemical_formula_sum '[Tb4 Sm8 Ag4 Se20]'
_cell_volume [900.3105]
_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  0.0000  0.1955  0.0082  1.0
  Sm  Sm1  4  0.0000  0.1101  0.6852  1.0
  Sm  Sm2  4  0.0000  0.1249  0.3042  1.0
  Ag  Ag3  4  0.0000  0.4438  0.4602  1.0
  Se  Se4  4  0.0000  0.0448  0.0814  1.0
  Se  Se5  4  0.0000  0.2864  0.6688  1.0
  Se  Se6  4  0.0000  0.3065  0.3427  1.0
  Se  Se7  4  0.0000  0.3605  0.0001  1.0
  Se  Se8  4  0.0000  0.4976  0.7730  1.0
]