data_[Sm8Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.4033]
_cell_length_b [4.1296]
_cell_length_c [11.1326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sm2Se3]
_chemical_formula_sum '[Sm8 Se12]'
_cell_volume [524.2441]
_cell_formula_units_Z [4]
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  0.0117  0.2500  0.1871  1.0
  Sm  Sm1  4  0.1936  0.2500  0.5022  1.0
  Se  Se2  4  0.0448  0.7500  0.3747  1.0
  Se  Se3  4  0.1199  0.2500  0.9443  1.0
  Se  Se4  4  0.2278  0.7500  0.6979  1.0
]