data_[Al2V4Cr12]
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
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3165]
_cell_length_b [4.8178]
_cell_length_c [11.5445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Al(VCr3)2]
_chemical_formula_sum '[Al2 V4 Cr12]'
_cell_volume [240.0794]
_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  0.5000  0.5000  1
  V  V1  4  0.0000  0.0000  0.3944  1
  Cr  Cr2  8  0.0000  0.2554  0.1957  1
  Cr  Cr3  4  0.0000  0.2576  0.0000  1
]