data_[Sm2U6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  U  1.3800  1.7500  0.9913
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.5804]
_cell_length_b [4.0581]
_cell_length_c [12.0213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(USe2)3]
_chemical_formula_sum '[Sm2 U6 Se12]'
_cell_volume [536.1162]
_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  2  0.0457  0.2500  0.6943  1
  U  U1  2  0.1507  0.2500  0.0788  1
  U  U2  2  0.3189  0.7500  0.5050  1
  U  U3  2  0.4314  0.2500  0.8338  1
  Se  Se4  2  0.0866  0.7500  0.8993  1
  Se  Se5  2  0.1183  0.2500  0.4661  1
  Se  Se6  2  0.1947  0.7500  0.2512  1
  Se  Se7  2  0.2553  0.7500  0.7242  1
  Se  Se8  2  0.3920  0.2500  0.0601  1
  Se  Se9  2  0.4927  0.2500  0.6226  1
]