data_[V10Fe10Si12]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.7234]
_cell_length_b [11.7809]
_cell_length_c [6.9567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [V5Fe5Si6]
_chemical_formula_sum '[V10 Fe10 Si12]'
_cell_volume [387.1141]
_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  0.0000  0.1101  0.8804  1.0
  V  V1  4  0.5000  0.1071  0.1110  1.0
  V  V2  2  0.5000  0.0000  0.7634  1.0
  Fe  Fe3  8  0.2501  0.1694  0.5040  1.0
  Fe  Fe4  2  0.0000  0.0000  0.2416  1.0
  Si  Si5  4  0.0000  0.1973  0.2053  1.0
  Si  Si6  4  0.5000  0.2055  0.7965  1.0
  Si  Si7  2  0.0000  0.0000  0.5824  1.0
  Si  Si8  2  0.5000  0.0000  0.4105  1.0
]