data_[Ta12Nb4V4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4786]
_cell_length_b [4.5968]
_cell_length_c [5.6814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta3NbV]
_chemical_formula_sum '[Ta12 Nb4 V4]'
_cell_volume [348.6439]
_cell_formula_units_Z [4]
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  0.0032  0.0000  0.2567  1
  Ta  Ta1  4  0.0998  0.5000  0.9490  1
  Ta  Ta2  4  0.1994  0.0000  0.6446  1
  Nb  Nb3  4  0.1997  0.0000  0.1530  1
  V  V4  4  0.0937  0.5000  0.4555  1
]