data_[Fe6P6]
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 [Cm]
_cell_length_a [7.9594]
_cell_length_b [2.7915]
_cell_length_c [6.2278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [FeP]
_chemical_formula_sum '[Fe6 P6]'
_cell_volume [132.0615]
_cell_formula_units_Z [6]
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  0.0514  0.0000  0.0133  1
  Fe  Fe1  2  0.3039  0.0000  0.6586  1
  Fe  Fe2  2  0.3758  0.0000  0.2783  1
  P  P3  2  0.0071  0.0000  0.5897  1
  P  P4  2  0.1692  0.5000  0.3422  1
  P  P5  2  0.2593  0.5000  0.9512  1
]