data_[Ta2In2O8]
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 [Pnc2]
_cell_length_a [5.3063]
_cell_length_b [4.8501]
_cell_length_c [5.8436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [TaInO4]
_chemical_formula_sum '[Ta2 In2 O8]'
_cell_volume [150.3903]
_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  0.6819  1.0
  In  In1  2  0.5000  0.0000  0.3219  1.0
  O  O2  4  0.1497  0.2406  0.3884  1.0
  O  O3  4  0.3077  0.7084  0.1097  1.0
]