data_[V4Fe12Re8]
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
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1787]
_cell_length_b [12.5449]
_cell_length_c [5.9297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [VFe3Re2]
_chemical_formula_sum '[V4 Fe12 Re8]'
_cell_volume [310.8421]
_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  4  0.0000  0.3336  0.7500  1
  Fe  Fe1  8  0.0000  0.1695  0.0094  1
  Fe  Fe2  4  0.0000  0.5000  0.0000  1
  Re  Re3  4  0.0000  0.0044  0.7500  1
  Re  Re4  4  0.0000  0.3362  0.2500  1
]