data_[Fe1P2O1]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [2.6360]
_cell_length_b [4.3555]
_cell_length_c [5.3877]
_cell_angle_alpha [74.5148]
_cell_angle_beta [89.4711]
_cell_angle_gamma [74.3577]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [FeP2O]
_chemical_formula_sum '[Fe1 P2 O1]'
_cell_volume [57.2704]
_cell_formula_units_Z [1]
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  1  0.9224  0.3775  0.4481  1
  P  P1  1  0.6644  0.8344  0.0778  1
  P  P2  1  0.6668  0.8558  0.6629  1
  O  O3  1  0.0488  0.0981  0.0876  1
]