data_[Al6V8Cr2]
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 [Pmmn]
_cell_length_a [4.3681]
_cell_length_b [8.6982]
_cell_length_c [5.8664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Al3V4Cr]
_chemical_formula_sum '[Al6 V8 Cr2]'
_cell_volume [222.8921]
_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  4  0.0000  0.2461  0.6309  1.0
  Al  Al1  2  0.0000  0.5000  0.3641  1.0
  V  V2  4  0.0000  0.2341  0.1092  1.0
  V  V3  2  0.0000  0.0000  0.8877  1.0
  V  V4  2  0.0000  0.5000  0.8764  1.0
  Cr  Cr5  2  0.0000  0.0000  0.3635  1.0
]