data_[Sm6Th2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.6262]
_cell_length_b [4.3914]
_cell_length_c [12.9898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3ThTe6]
_chemical_formula_sum '[Sm6 Th2 Te12]'
_cell_volume [683.2414]
_cell_formula_units_Z [2]
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  2  0.1548  0.2500  0.0752  1
  Sm  Sm1  2  0.3211  0.7500  0.4970  1
  Sm  Sm2  2  0.4236  0.2500  0.8362  1
  Th  Th3  2  0.0448  0.2500  0.6970  1
  Te  Te4  2  0.0838  0.7500  0.8961  1
  Te  Te5  2  0.1124  0.2500  0.4673  1
  Te  Te6  2  0.1903  0.7500  0.2513  1
  Te  Te7  2  0.2476  0.7500  0.7172  1
  Te  Te8  2  0.3957  0.2500  0.0680  1
  Te  Te9  2  0.4855  0.2500  0.6220  1
]