data_[Al4V10Cr2]
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 [I4/mmm]
_cell_length_a [4.3181]
_cell_length_b [4.3181]
_cell_length_c [11.7357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Al2V5Cr]
_chemical_formula_sum '[Al4 V10 Cr2]'
_cell_volume [218.8188]
_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  0.0000  0.2499  1.0
  V  V1  8  0.0000  0.5000  0.1129  1.0
  V  V2  2  0.0000  0.0000  0.5000  1.0
  Cr  Cr3  2  0.0000  0.0000  0.0000  1.0
]