data_[Sm4Tl4Fe4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.3908]
_cell_length_b [4.5262]
_cell_length_c [13.2081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmTlFeTe3]
_chemical_formula_sum '[Sm4 Tl4 Fe4 Te12]'
_cell_volume [740.7445]
_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  0.0217  0.7500  0.6817  1
  Tl  Tl1  4  0.1833  0.7500  0.9980  1
  Fe  Fe2  4  0.2456  0.2500  0.7997  1
  Te  Te3  4  0.0423  0.2500  0.8482  1
  Te  Te4  4  0.1041  0.7500  0.4408  1
  Te  Te5  4  0.2190  0.2500  0.1990  1
]