data_[V6Fe14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2872]
_cell_length_b [4.0185]
_cell_length_c [4.9418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V3Fe7]
_chemical_formula_sum '[V6 Fe14]'
_cell_volume [233.7106]
_cell_formula_units_Z [2]
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  4  0.2005  0.0000  0.7867  1
  V  V1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.0993  0.5000  0.3979  1
  Fe  Fe3  4  0.1010  0.5000  0.8967  1
  Fe  Fe4  4  0.1998  0.0000  0.2918  1
  Fe  Fe5  2  0.0000  0.0000  0.5000  1
]