data_V7Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V7Fe
_chemical_formula_sum   'V7 Fe1'
_cell_volume   99.67
_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  V1  1  0.9  0.9  0.84  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.3  0.3  0.84  1.0
  V  V4  1  0.6  0.0  0.0  1.0
  V  V5  1  0.9  0.3  0.84  1.0
  V  V6  1  0.0  0.6  0.0  1.0
  V  V7  1  0.3  0.9  0.84  1.0
  Fe  Fe0  1  0.6  0.6  0.0  1.0

data_V7Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.36
_cell_length_b   7.36
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V7Fe
_chemical_formula_sum   'V14 Fe2'
_cell_volume   199.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.1  0.2  0.84  1.0
  V  V1  4  0.3  0.3  0.0  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  V  V3  2  0.3  0.0  0.84  1.0
  V  V4  2  0.4  0.5  0.84  1.0
  Fe  Fe5  2  0.1  0.5  0.0  1.0

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