data_[Al2V12Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2414]
_cell_length_b [6.0570]
_cell_length_c [8.5707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AlV6Re]
_chemical_formula_sum '[Al2 V12 Re2]'
_cell_volume [220.1839]
_cell_formula_units_Z [2]
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
[
  Al  Al0  2  0.0000  0.0000  0.8747  1.0
  V  V1  4  0.0000  0.2476  0.1246  1.0
  V  V2  4  0.5000  0.2342  0.3750  1.0
  V  V3  2  0.0000  0.0000  0.3747  1.0
  V  V4  2  0.5000  0.0000  0.1189  1.0
  Re  Re5  2  0.5000  0.0000  0.6330  1.0
]