data_[Sm12Si4Sb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5138]
_cell_length_b [4.2413]
_cell_length_c [8.5687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Si2SbSe3]
_chemical_formula_sum '[Sm12 Si4 Sb2 Se6]'
_cell_volume [655.3643]
_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  4  0.0057  0.0000  0.2605  1.0
  Sm  Sm1  4  0.1702  0.5000  0.5774  1.0
  Sm  Sm2  4  0.1706  0.5000  0.0992  1.0
  Si  Si3  4  0.1674  0.0000  0.3352  1.0
  Sb  Sb4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1645  0.0000  0.8342  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]