data_[Y4U4B16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  U  1.3800  1.7500  0.9913
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.1307]
_cell_length_b [12.0167]
_cell_length_c [4.0298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [YUB4]
_chemical_formula_sum '[Y4 U4 B16]'
_cell_volume [296.8813]
_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
[
  Y  Y0  4  0.1249  0.1582  0.0000  1
  U  U1  4  0.1261  0.4223  0.0000  1
  B  B2  4  0.0131  0.6946  0.5000  1
  B  B3  4  0.1218  0.5520  0.5000  1
  B  B4  4  0.1276  0.9684  0.5000  1
  B  B5  4  0.1988  0.8123  0.5000  1
]