data_[Sm16Sb6Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [12.1243]
_cell_length_b [12.1328]
_cell_length_c [8.5502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.7613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8Sb3Se4]
_chemical_formula_sum '[Sm16 Sb6 Se8]'
_cell_volume [893.0626]
_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  0.0000  0.2453  0.0000  1
  Sm  Sm1  4  0.0000  0.2456  0.5000  1
  Sm  Sm2  4  0.2404  0.0000  0.4897  1
  Sm  Sm3  4  0.2405  0.0000  0.9910  1
  Sb  Sb4  4  0.2500  0.2500  0.0000  1
  Sb  Sb5  2  0.0000  0.5000  0.5000  1
  Se  Se6  4  0.2500  0.2500  0.5000  1
  Se  Se7  2  0.0000  0.0000  0.0000  1
  Se  Se8  2  0.0000  0.0000  0.5000  1
]