data_Fe3P4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3P4
_chemical_formula_sum   'Fe3 P4'
_cell_volume   91.43
_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  0.24  0.16  0.13  1.0
  Fe  Fe1  1  0.49  0.0  0.13  1.0
  Fe  Fe2  1  0.76  0.16  0.13  1.0
  P  P3  1  0.0  0.0  0.2  1.0
  P  P4  1  0.0  0.0  0.06  1.0
  P  P5  1  0.0  0.87  0.0  1.0
  P  P6  1  0.49  0.44  0.0  1.0

data_Fe3P4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3P4
_chemical_formula_sum   'Fe3 P4'
_cell_volume   91.43
_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  0.13  0.24  0.16  1.0
  Fe  Fe1  1  0.13  0.49  0.0  1.0
  Fe  Fe2  1  0.13  0.76  0.16  1.0
  P  P3  1  -0.0  0.49  0.44  1.0
  P  P4  1  -0.0  -0.0  0.87  1.0
  P  P5  1  0.06  0.0  0.0  1.0
  P  P6  1  0.2  0.0  0.0  1.0

Fe Fe Fe P P P P
Fe Fe Fe P P P P 0 4 o o o 0 3 o o o 0 6 o o o 1 2 o o o 3 4 o o o 4 5 o - o 