data_[Sm8Te12]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.2134]
_cell_length_b [4.3813]
_cell_length_c [11.9868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm2Te3]
_chemical_formula_sum '[Sm8 Te12]'
_cell_volume [641.4298]
_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  0.0154  0.7500  0.6869  1.0
  Sm  Sm1  4  0.1962  0.7500  0.9983  1.0
  Te  Te2  4  0.0427  0.2500  0.8764  1.0
  Te  Te3  4  0.1190  0.7500  0.4440  1.0
  Te  Te4  4  0.2252  0.2500  0.1960  1.0
]