data_[Zr2Al2V2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.1349]
_cell_length_b [3.1349]
_cell_length_c [10.6672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ZrAlV]
_chemical_formula_sum '[Zr2 Al2 V2]'
_cell_volume [104.8342]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.4689  1.0
  Zr  Zr1  1  0.0000  0.0000  0.8451  1.0
  Al  Al2  1  0.5000  0.5000  0.2801  1.0
  Al  Al3  1  0.5000  0.5000  0.6540  1.0
  V  V4  1  0.0000  0.0000  0.1315  1.0
  V  V5  1  0.5000  0.5000  0.0211  1.0
]