data_[Ta8Cu4O24]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [7.5072]
_cell_length_b [7.6311]
_cell_length_c [7.6392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ta2CuO6]
_chemical_formula_sum '[Ta8 Cu4 O24]'
_cell_volume [437.6374]
_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  8  0.2500  0.2500  0.2500  1.0
  Cu  Cu1  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0000  0.1957  0.2952  1.0
  O  O4  8  0.1868  0.3144  0.0000  1.0
  O  O5  8  0.1933  0.5000  0.3216  1.0
]