data_[Al1V4Fe5]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.8600]
_cell_length_b [2.8600]
_cell_length_c [14.4575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [AlV4Fe5]
_chemical_formula_sum '[Al1 V4 Fe5]'
_cell_volume [118.2571]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  V  V1  2  0.0000  0.0000  0.1973  1.0
  V  V2  2  0.0000  0.0000  0.3992  1.0
  Fe  Fe3  2  0.5000  0.5000  0.1035  1.0
  Fe  Fe4  2  0.5000  0.5000  0.2980  1.0
  Fe  Fe5  1  0.5000  0.5000  0.5000  1.0
]