data_[Fe4P4]
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 [P2_1]
_cell_length_a [17.8802]
_cell_length_b [2.4947]
_cell_length_c [17.8802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [FeP]
_chemical_formula_sum '[Fe4 P4]'
_cell_volume [690.7135]
_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  2  0.3784  0.2626  0.4731  1
  Fe  Fe1  2  0.4776  0.0508  0.4228  1
  P  P2  2  0.3430  0.6828  0.3454  1
  P  P3  2  0.4122  0.8075  0.5981  1
]