data_[Sm8Tm4Ag4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  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 [4.1103]
_cell_length_b [17.3552]
_cell_length_c [12.4660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2TmAgSe5]
_chemical_formula_sum '[Sm8 Tm4 Ag4 Se20]'
_cell_volume [889.2635]
_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
[
  Sm  Sm0  4  0.0000  0.1099  0.6855  1.0
  Sm  Sm1  4  0.0000  0.1256  0.3042  1.0
  Tm  Tm2  4  0.0000  0.1956  0.0090  1.0
  Ag  Ag3  4  0.0000  0.4426  0.4595  1.0
  Se  Se4  4  0.0000  0.0462  0.0810  1.0
  Se  Se5  4  0.0000  0.2855  0.6664  1.0
  Se  Se6  4  0.0000  0.3048  0.3454  1.0
  Se  Se7  4  0.0000  0.3588  0.0001  1.0
  Se  Se8  4  0.0000  0.4975  0.7729  1.0
]