data_[Fe4P16]
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 [C2/c]
_cell_length_a [5.0678]
_cell_length_b [10.4420]
_cell_length_c [6.0822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.7248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [FeP4]
_chemical_formula_sum '[Fe4 P16]'
_cell_volume [294.6550]
_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  4  0.0000  0.0867  0.2500  1.0
  P  P1  8  0.2332  0.2645  0.8146  1.0
  P  P2  8  0.2451  0.4320  0.3379  1.0
]