data_[Fe16P20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pcca]
_cell_length_a [8.3612]
_cell_length_b [21.7935]
_cell_length_c [8.7054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [54]
_chemical_formula_structural [Fe4P5]
_chemical_formula_sum '[Fe16 P20]'
_cell_volume [1586.2901]
_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
[
  Fe  Fe0  8  0.1346  0.0871  0.4790  1
  Fe  Fe1  4  0.0000  0.0504  0.7500  1
  Fe  Fe2  4  0.2500  0.0000  0.1062  1
  P  P3  8  0.1130  0.1179  0.9609  1
  P  P4  4  0.0000  0.0000  0.0000  1
  P  P5  4  0.0000  0.1559  0.7500  1
  P  P6  4  0.2500  0.0000  0.3477  1
]