data_[Ta4In12O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C222_1]
_cell_length_a [7.5297]
_cell_length_b [10.4404]
_cell_length_c [7.3131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [20]
_chemical_formula_structural [TaIn3O7]
_chemical_formula_sum '[Ta4 In12 O28]'
_cell_volume [574.9035]
_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  0.0107  0.0000  0.5000  1
  In  In1  8  0.2409  0.2396  0.7425  1
  In  In2  4  0.0485  0.5000  0.5000  1
  O  O3  8  0.1805  0.1357  0.4652  1
  O  O4  8  0.2056  0.1254  0.0179  1
  O  O5  4  0.0000  0.0545  0.7500  1
  O  O6  4  0.0000  0.3559  0.7500  1
  O  O7  4  0.0000  0.3731  0.2500  1
]