data_[U4Fe20P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6262]
_cell_length_b [11.4507]
_cell_length_c [11.0733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [UFe5P3]
_chemical_formula_sum '[U4 Fe20 P12]'
_cell_volume [459.7923]
_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
[
  U  U0  4  0.0000  0.1671  0.2500  1
  Fe  Fe1  8  0.0000  0.1972  0.5687  1
  Fe  Fe2  8  0.0000  0.4484  0.1474  1
  Fe  Fe3  4  0.0000  0.0000  0.0000  1
  P  P4  8  0.0000  0.3815  0.5429  1
  P  P5  4  0.0000  0.1160  0.7500  1
]