data_[U4In4Fe6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8663]
_cell_length_b [4.6096]
_cell_length_c [4.8193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5433]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [U2In2Fe3]
_chemical_formula_sum '[U4 In4 Fe6]'
_cell_volume [259.9614]
_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
[
  U  U0  4  0.1529  0.0000  0.3542  1
  In  In1  4  0.0851  0.5000  0.8154  1
  Fe  Fe2  4  0.2014  0.0000  0.7897  1
  Fe  Fe3  2  0.0000  0.0000  0.0000  1
]