data_VFeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   147.47
_cell_angle_beta   146.59
_cell_angle_gamma   47.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeP2
_chemical_formula_sum   'V1 Fe1 P2'
_cell_volume   49.35
_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  0.0  0.0  0.65  1.0
  Fe  Fe0  1  0.0  0.58  0.11  1.0
  P  P1  1  0.0  0.0  0.48  1.0
  P  P2  1  0.54  0.0  0.86  1.0

data_VFeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.17
_cell_length_c   5.51
_cell_angle_alpha   106.7
_cell_angle_beta   106.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeP2
_chemical_formula_sum   'V1 Fe1 P2'
_cell_volume   49.35
_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  0.35  0.35  0.35  1.0
  Fe  Fe1  1  0.89  0.47  0.47  1.0
  P  P2  1  0.52  0.52  0.52  1.0
  P  P3  1  0.69  0.14  0.69  1.0

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