data_Fe(SiP)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   5.56
_cell_length_c   6.09
_cell_angle_alpha   85.39
_cell_angle_beta   68.39
_cell_angle_gamma   70.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(SiP)4
_chemical_formula_sum   'Fe1 Si4 P4'
_cell_volume   144.96
_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  0.89  0.01  0.0  1.0
  Si  Si1  1  0.26  0.02  0.22  1.0
  Si  Si2  1  0.77  0.65  0.44  1.0
  Si  Si3  1  0.79  0.9  0.01  1.0
  Si  Si4  1  0.52  0.9  0.94  1.0
  P  P5  1  0.47  0.97  0.74  1.0
  P  P6  1  0.12  0.06  0.66  1.0
  P  P7  1  0.19  0.21  0.19  1.0
  P  P8  1  0.74  0.93  0.35  1.0

data_Fe(SiP)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.89
_cell_length_b   5.56
_cell_length_c   6.09
_cell_angle_alpha   85.39
_cell_angle_beta   68.39
_cell_angle_gamma   70.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(SiP)4
_chemical_formula_sum   'Fe1 Si4 P4'
_cell_volume   144.96
_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  0.89  0.01  0.0  1.0
  Si  Si1  1  0.26  0.02  0.22  1.0
  Si  Si2  1  0.52  0.9  0.94  1.0
  Si  Si3  1  0.77  0.65  0.44  1.0
  Si  Si4  1  0.79  0.9  0.01  1.0
  P  P5  1  0.12  0.06  0.66  1.0
  P  P6  1  0.19  0.21  0.19  1.0
  P  P7  1  0.47  0.97  0.74  1.0
  P  P8  1  0.74  0.93  0.35  1.0

Fe Si Si Si Si P P P P
Fe Si Si Si Si P P P P 0 3 o - o 0 6 + o - 1 7 o o o 2 8 o o o 3 4 o o - 4 5 o o o 5 6 o + o 