data_[Sm4Al4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.0772]
_cell_length_b [23.7525]
_cell_length_c [6.7551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [SmAlSe3]
_chemical_formula_sum '[Sm4 Al4 Se12]'
_cell_volume [654.1869]
_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  0.3267  0.7196  1.0
  Al  Al1  4  0.2500  0.1256  0.6499  1.0
  Se  Se2  4  0.2500  0.1170  1.0000  1.0
  Se  Se3  4  0.2500  0.2188  0.4962  1.0
  Se  Se4  4  0.2500  0.4193  0.0134  1.0
]