data_[Sm8U4Se16]
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 [Cmcm]
_cell_length_a [4.0514]
_cell_length_b [13.7799]
_cell_length_c [13.8648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm2USe4]
_chemical_formula_sum '[Sm8 U4 Se16]'
_cell_volume [774.0406]
_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  8  0.0000  0.1332  0.0679  1
  U  U1  4  0.0000  0.3781  0.2500  1
  Se  Se2  8  0.0000  0.2243  0.6265  1
  Se  Se3  4  0.0000  0.0301  0.2500  1
  Se  Se4  4  0.0000  0.5000  0.0000  1
]