data_[V24Cr8Fe4]
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 [Immm]
_cell_length_a [7.7215]
_cell_length_b [7.7687]
_cell_length_c [7.8922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [V6Cr2Fe]
_chemical_formula_sum '[V24 Cr8 Fe4]'
_cell_volume [473.4204]
_cell_formula_units_Z [4]
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  8  0.0000  0.1909  0.2875  1
  V  V1  8  0.1810  0.5000  0.2411  1
  V  V2  8  0.2448  0.1927  0.0000  1
  Cr  Cr3  4  0.0000  0.3536  0.0000  1
  Cr  Cr4  4  0.1636  0.0000  0.5000  1
  Fe  Fe5  2  0.0000  0.0000  0.0000  1
  Fe  Fe6  2  0.0000  0.5000  0.5000  1
]