data_V5Fe5Si6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   119.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Fe5Si6
_chemical_formula_sum   'V5 Fe5 Si6'
_cell_volume   193.79
_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  0.36  0.69  0.11  1.0
  V  V1  1  0.36  0.31  0.11  1.0
  V  V2  1  0.0  0.0  0.33  1.0
  V  V3  1  0.0  0.42  0.22  1.0
  V  V4  1  0.0  0.58  0.22  1.0
  Fe  Fe5  1  0.18  0.01  0.49  1.0
  Fe  Fe6  1  0.18  0.99  0.49  1.0
  Fe  Fe7  1  0.54  0.99  0.49  1.0
  Fe  Fe8  1  0.54  0.01  0.49  1.0
  Fe  Fe9  1  0.36  0.0  0.67  1.0
  Si  Si10  1  0.36  0.0  0.03  1.0
  Si  Si11  1  0.36  0.35  0.43  1.0
  Si  Si12  1  0.36  0.65  0.43  1.0
  Si  Si13  1  0.0  0.0  0.8  1.0
  Si  Si14  1  0.0  0.48  0.05  1.0
  Si  Si15  1  0.0  0.52  0.05  1.0

data_V5Fe5Si6
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   119.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V5Fe5Si6
_chemical_formula_sum   'V5 Fe5 Si6'
_cell_volume   193.79
_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  0.42  0.22  1.0
  V  V1  1  -0.0  0.58  0.22  1.0
  V  V2  1  0.0  0.0  0.33  1.0
  V  V3  1  0.36  0.31  0.11  1.0
  V  V4  1  0.36  0.69  0.11  1.0
  Fe  Fe5  1  0.18  0.01  0.49  1.0
  Fe  Fe6  1  0.18  0.99  0.49  1.0
  Fe  Fe7  1  0.36  0.0  0.67  1.0
  Fe  Fe8  1  0.54  0.01  0.49  1.0
  Fe  Fe9  1  0.54  0.99  0.49  1.0
  Si  Si10  1  -0.0  0.48  0.05  1.0
  Si  Si11  1  -0.0  0.52  0.05  1.0
  Si  Si12  1  0.0  0.0  0.8  1.0
  Si  Si13  1  0.36  0.0  0.03  1.0
  Si  Si14  1  0.36  0.35  0.43  1.0
  Si  Si15  1  0.36  0.65  0.43  1.0

V V V V V Fe Fe Fe Fe Fe Si Si Si Si Si Si
V V V V V Fe Fe Fe Fe Fe Si Si Si Si Si Si 0 15 o o o 0 14 o o o 0 4 o o o 0 5 o + o 0 2 o + o 0 6 o o o 0 12 o o o 0 1 o o o 0 10 o + o 0 8 o + o 0 7 o o o 1 15 o o o 1 14 o o o 1 4 o o o 1 3 o o o 1 10 o o o 1 12 o o o 1 11 o o o 2 6 o - o 2 5 o o o 3 4 o o o 3 11 o o o 3 12 o o o 4 15 o o o 4 14 o o o 4 12 o o o 5 6 o - o 5 9 o o o 5 12 o - o 5 13 o o o 6 9 o + o 6 12 o o o 6 13 o + o 7 8 o + o 7 9 o + o 7 12 o o o 8 9 o o o 8 12 o - o 9 10 o o + 9 12 o - o 9 13 o o o 10 13 o o - 11 12 o o o 14 15 o o o 