data_[Ta2Cu2O6F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8393]
_cell_length_b [6.6164]
_cell_length_c [6.8133]
_cell_angle_alpha [67.0900]
_cell_angle_beta [80.1139]
_cell_angle_gamma [86.3601]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TaCuO3F]
_chemical_formula_sum '[Ta2 Cu2 O6 F2]'
_cell_volume [157.0542]
_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  0.2686  0.2153  0.8417  1.0
  Cu  Cu1  2  0.2949  0.8056  0.6448  1.0
  O  O2  2  0.2458  0.8574  0.0837  1.0
  O  O3  2  0.2876  0.5077  0.6943  1.0
  O  O4  2  0.3338  0.1078  0.6119  1.0
  F  F5  2  0.1597  0.2469  0.1405  1.0
]