data_[Tm4Ta4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ta  1.5000  1.4500  0.8200
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9619]
_cell_length_b [6.3400]
_cell_length_c [6.7617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmTaIO4]
_chemical_formula_sum '[Tm4 Ta4 I4 O16]'
_cell_volume [532.3756]
_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
[
  Tm  Tm0  4  0.2068  0.5000  0.8256  1
  Ta  Ta1  4  0.1122  0.5000  0.2121  1
  I  I2  4  0.0405  0.0000  0.7058  1
  O  O3  8  0.1840  0.2698  0.1289  1
  O  O4  4  0.0404  0.5000  0.8455  1
  O  O5  4  0.1604  0.5000  0.4976  1
]