data_FeSbP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   7.79
_cell_angle_alpha   103.02
_cell_angle_beta   103.02
_cell_angle_gamma   47.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbP2
_chemical_formula_sum   'Fe1 Sb1 P2'
_cell_volume   72.4
_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  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.35  0.0  0.77  1.0
  P  P1  1  0.73  0.0  0.45  1.0
  P  P2  1  0.97  0.0  0.09  1.0

data_FeSbP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.61
_cell_length_c   7.79
_cell_angle_alpha   103.02
_cell_angle_beta   90.0
_cell_angle_gamma   113.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbP2
_chemical_formula_sum   'Fe1 Sb1 P2'
_cell_volume   72.4
_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  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.65  0.23  1.0
  P  P2  1  0.0  0.03  0.91  1.0
  P  P3  1  0.0  0.27  0.55  1.0

Fe Sb P P
Fe Sb P P 0 3 - o o 0 1 o o - 0 1 - o - 0 1 o - - 1 2 - o o 1 2 o o o 1 2 o - o 1 1 + - o 1 3 - o + 1 3 o o + 2 2 o + o 2 2 + - o 2 2 + o o 2 3 - o o 2 3 o o o 