data_[U6Mn3Fe9B36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.3570]
_cell_length_b [5.3570]
_cell_length_c [22.0723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [U2Mn(FeB4)3]
_chemical_formula_sum '[U6 Mn3 Fe9 B36]'
_cell_volume [548.5475]
_cell_formula_units_Z [3]
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
[
  U  U0  6  0.0000  0.0000  0.3582  1
  Mn  Mn1  3  0.0000  0.0000  0.0000  1
  Fe  Fe2  9  0.0000  0.5000  0.5000  1
  B  B3  18  0.0819  0.5410  0.5946  1
  B  B4  18  0.1089  0.2178  0.2396  1
]