data_[Sm4U4B16]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.1651]
_cell_length_b [12.0305]
_cell_length_c [4.0778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [SmUB4]
_chemical_formula_sum '[Sm4 U4 B16]'
_cell_volume [302.4475]
_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  0.1229  0.1561  0.0000  1
  U  U1  4  0.1241  0.4214  0.0000  1
  B  B2  4  0.0182  0.6938  0.5000  1
  B  B3  4  0.1208  0.5508  0.5000  1
  B  B4  4  0.1293  0.9689  0.5000  1
  B  B5  4  0.2032  0.8122  0.5000  1
]