data_[Sm1Te4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.8474]
_cell_length_b [7.8616]
_cell_length_c [8.1779]
_cell_angle_alpha [74.4802]
_cell_angle_beta [86.4520]
_cell_angle_gamma [71.6323]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm(Te2Br3)2]
_chemical_formula_sum '[Sm1 Te4 Br6]'
_cell_volume [461.2133]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Te  Te1  2  0.3208  0.4376  0.3927  1.0
  Te  Te2  2  0.4552  0.3466  0.7200  1.0
  Br  Br3  2  0.1654  0.1383  0.6947  1.0
  Br  Br4  2  0.2201  0.6293  0.0038  1.0
  Br  Br5  2  0.2737  0.0327  0.2029  1.0
]