data_[Fe2P8]
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/m]
_cell_length_a [9.4629]
_cell_length_b [3.5369]
_cell_length_c [4.5997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [FeP4]
_chemical_formula_sum '[Fe2 P8]'
_cell_volume [146.3225]
_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
[
  Fe  Fe0  2  0.0000  0.0000  0.5000  1.0
  P  P1  4  0.0589  0.5000  0.2537  1.0
  P  P2  4  0.2240  0.0000  0.8317  1.0
]