data_[Al2V4Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0681]
_cell_length_b [3.1176]
_cell_length_c [8.5363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AlV2Cu]
_chemical_formula_sum '[Al2 V4 Cu2]'
_cell_volume [108.1529]
_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  0.0430  0.7500  0.3685  1.0
  V  V1  2  0.0109  0.2500  0.1170  1.0
  V  V2  2  0.4888  0.2500  0.8770  1.0
  Cu  Cu3  2  0.4546  0.7500  0.6230  1.0
]