data_[Li4Tb8Sm4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0909]
_cell_length_b [17.1256]
_cell_length_c [12.4641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTb2SmSe5]
_chemical_formula_sum '[Li4 Tb8 Sm4 Se20]'
_cell_volume [873.2257]
_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
[
  Li  Li0  4  0.0000  0.4885  0.4829  1
  Tb  Tb1  4  0.0000  0.1087  0.6840  1
  Tb  Tb2  4  0.0000  0.1229  0.2924  1
  Sm  Sm3  4  0.0000  0.1947  0.9996  1
  Se  Se4  4  0.0000  0.0431  0.0775  1
  Se  Se5  4  0.0000  0.2879  0.6652  1
  Se  Se6  4  0.0000  0.3082  0.3346  1
  Se  Se7  4  0.0000  0.3633  0.0016  1
  Se  Se8  4  0.0000  0.4992  0.2863  1
]