data_[V36Cr18Fe3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.7529]
_cell_length_b [8.7529]
_cell_length_c [11.2417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [V12Cr6Fe]
_chemical_formula_sum '[V36 Cr18 Fe3]'
_cell_volume [745.8816]
_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  18  0.0551  0.8668  0.8065  1
  V  V1  18  0.0640  0.2289  0.4155  1
  Cr  Cr2  18  0.0327  0.5857  0.7048  1
  Fe  Fe3  3  0.0000  0.0000  0.0000  1
]