data_[V18Fe3Co36]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.6712]
_cell_length_b [8.6712]
_cell_length_c [10.0713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [V6FeCo12]
_chemical_formula_sum '[V18 Fe3 Co36]'
_cell_volume [655.8028]
_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  0.0259  0.5946  0.7267  1
  Fe  Fe1  3  0.0000  0.0000  0.0000  1
  Co  Co2  18  0.0434  0.8602  0.8147  1
  Co  Co3  18  0.0656  0.1968  0.4040  1
]