data_[Sm4Se20]
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 [Ama2]
_cell_length_a [11.0532]
_cell_length_b [16.8359]
_cell_length_c [4.0908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [SmSe5]
_chemical_formula_sum '[Sm4 Se20]'
_cell_volume [761.2510]
_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  0.2500  0.3718  0.0106  1
  Se  Se1  8  0.0787  0.2346  0.9734  1
  Se  Se2  8  0.1396  0.4707  0.5100  1
  Se  Se3  4  0.2500  0.2285  0.5251  1
]