data_[Ta4Al4V2Fe10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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/mbm]
_cell_length_a [9.2010]
_cell_length_b [9.2010]
_cell_length_c [3.0682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ta2Al2VFe5]
_chemical_formula_sum '[Ta4 Al4 V2 Fe10]'
_cell_volume [259.7482]
_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
[
  Ta  Ta0  4  0.1714  0.3286  0.0000  1
  Al  Al1  4  0.1288  0.6288  0.0000  1
  V  V2  2  0.0000  0.0000  0.0000  1
  Fe  Fe3  8  0.0539  0.8022  0.5000  1
  Fe  Fe4  2  0.0000  0.5000  0.5000  1
]