data_[V3Fe9Si12]
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 [R3]
_cell_length_a [6.3788]
_cell_length_b [6.3788]
_cell_length_c [7.9173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [VFe3Si4]
_chemical_formula_sum '[V3 Fe9 Si12]'
_cell_volume [278.9878]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6361  1.0
  Fe  Fe1  9  0.0175  0.2673  0.1206  1.0
  Si  Si2  9  0.1047  0.6994  0.5561  1.0
  Si  Si3  3  0.0000  0.0000  0.3340  1.0
]