data_[Tl4Tc4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Tc  1.9000  1.3500  0.7417
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4518]
_cell_length_b [4.9328]
_cell_length_c [7.5623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlTcO3]
_chemical_formula_sum '[Tl4 Tc4 O12]'
_cell_volume [308.0950]
_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
[
  Tl  Tl0  4  0.3541  0.6803  0.3202  1
  Tc  Tc1  4  0.0618  0.2153  0.4509  1
  O  O2  4  0.0626  0.0831  0.6999  1
  O  O3  4  0.1409  0.5780  0.5536  1
  O  O4  4  0.2685  0.1126  0.4575  1
]