data_[Sm8Te1Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.6921]
_cell_length_b [10.6921]
_cell_length_c [4.2189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Sm8TeSe6]
_chemical_formula_sum '[Sm8 Te1 Se6]'
_cell_volume [417.6921]
_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  6  0.0360  0.3278  0.7412  1
  Sm  Sm1  2  0.3333  0.6667  0.2532  1
  Te  Te2  1  0.0000  0.0000  0.5000  1
  Se  Se3  6  0.1311  0.6488  0.7541  1
]