data_[Fe8P32]
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 [5.0562]
_cell_length_b [10.4133]
_cell_length_c [11.0940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [FeP4]
_chemical_formula_sum '[Fe8 P32]'
_cell_volume [584.0367]
_cell_formula_units_Z [8]
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  0.0759  0.2500  1.0
  Fe  Fe1  4  0.2500  0.2500  0.5000  1.0
  P  P2  8  0.0383  0.0932  0.0500  1.0
  P  P3  8  0.0600  0.3968  0.0241  1.0
  P  P4  8  0.2015  0.4278  0.2159  1.0
  P  P5  8  0.2019  0.2679  0.7070  1.0
]