data_[Ta2Ti2V2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.7102]
_cell_length_b [4.7102]
_cell_length_c [9.1162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [TaTiVO6]
_chemical_formula_sum '[Ta2 Ti2 V2 O12]'
_cell_volume [202.2548]
_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  2  0.0000  0.0000  0.3317  1.0
  Ti  Ti1  2  0.0000  0.0000  0.6697  1.0
  V  V2  2  0.0000  0.0000  0.9998  1.0
  O  O3  4  0.1932  0.8068  0.5006  1.0
  O  O4  4  0.1981  0.8019  0.8275  1.0
  O  O5  4  0.2016  0.7984  0.1713  1.0
]