data_VFe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   135.02
_cell_angle_beta   135.02
_cell_angle_gamma   65.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2P
_chemical_formula_sum   'V1 Fe2 P1'
_cell_volume   43.8
_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
  V  V3  1  0.71  0.0  0.88  1.0
  Fe  Fe0  1  0.0  0.0  0.75  1.0
  Fe  Fe1  1  0.0  0.71  0.88  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_VFe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.42
_cell_length_c   4.46
_cell_angle_alpha   112.49
_cell_angle_beta   112.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2P
_chemical_formula_sum   'V1 Fe2 P1'
_cell_volume   43.8
_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
  V  V0  1  0.12  0.0  0.83  1.0
  Fe  Fe1  1  0.25  0.0  0.25  1.0
  Fe  Fe2  1  0.83  0.71  0.83  1.0
  P  P3  1  0.0  0.0  0.0  1.0

V Fe Fe P
V Fe Fe P 0 3 + o + 1 3 o o + 2 3 o + + 