data_[Ta20V10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [9.8459]
_cell_length_b [9.8459]
_cell_length_c [5.2408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Ta2V]
_chemical_formula_sum '[Ta20 V10]'
_cell_volume [508.0571]
_cell_formula_units_Z [10]
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  8  0.0344  0.6284  0.5000  1
  Ta  Ta1  8  0.1830  0.1830  0.2504  1
  Ta  Ta2  4  0.1040  0.8960  0.5000  1
  V  V3  8  0.0675  0.7484  0.0000  1
  V  V4  2  0.0000  0.0000  0.0000  1
]