data_[Sm12Te2Se10]
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 [C2/m]
_cell_length_a [7.3087]
_cell_length_b [12.6738]
_cell_length_c [7.3193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6TeSe5]
_chemical_formula_sum '[Sm12 Te2 Se10]'
_cell_volume [638.8300]
_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  8  0.2382  0.3261  0.7322  1
  Sm  Sm1  4  0.2392  0.5000  0.2605  1
  Te  Te2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1593  0.5000  1
  Se  Se4  4  0.0000  0.3321  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]