data_VFe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.78
_cell_angle_alpha   100.02
_cell_angle_beta   100.02
_cell_angle_gamma   117.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe7
_chemical_formula_sum   'V1 Fe7'
_cell_volume   84.1
_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  V7  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.8  0.05  0.13  1.0
  Fe  Fe1  1  0.59  0.0  0.25  1.0
  Fe  Fe2  1  0.0  0.05  0.38  1.0
  Fe  Fe3  1  0.39  0.0  0.0  1.0
  Fe  Fe4  1  0.8  0.95  0.13  1.0
  Fe  Fe5  1  0.2  0.0  0.25  1.0
  Fe  Fe6  1  0.0  0.95  0.38  1.0

data_VFe7
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.78
_cell_angle_alpha   100.02
_cell_angle_beta   100.02
_cell_angle_gamma   117.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe7
_chemical_formula_sum   'V1 Fe7'
_cell_volume   84.1
_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  0.0  0.0  0.0  1.0
  Fe  Fe1  1  -0.0  0.95  0.38  1.0
  Fe  Fe2  1  -0.0  0.05  0.38  1.0
  Fe  Fe3  1  0.2  0.0  0.25  1.0
  Fe  Fe4  1  0.39  0.0  -0.0  1.0
  Fe  Fe5  1  0.59  0.0  0.25  1.0
  Fe  Fe6  1  0.8  0.05  0.13  1.0
  Fe  Fe7  1  0.8  0.95  0.13  1.0

V Fe Fe Fe Fe Fe Fe Fe
V Fe Fe Fe Fe Fe Fe Fe 0 5 - - o 0 1 - o o 0 6 o o o 1 5 o - o 1 2 o o o 1 4 o o o 2 4 o o o 2 5 o - o 3 7 o - o 3 6 o o o 4 6 o o o 6 7 o - o 