data_[Rb6Tc2I4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tc  1.9000  1.3500  0.7417
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6612]
_cell_length_b [6.8009]
_cell_length_c [6.8090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Tc(IF3)2]
_chemical_formula_sum '[Rb6 Tc2 I4 F12]'
_cell_volume [678.8148]
_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
[
  Rb  Rb0  4  0.2500  0.2500  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.0000  1
  Tc  Tc2  2  0.0000  0.0000  0.5000  1
  I  I3  4  0.2452  0.5000  0.9829  1
  F  F4  8  0.0513  0.2091  0.3322  1
  F  F5  4  0.1186  0.0000  0.6418  1
]