data_[Li6Tc18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tc  1.9000  1.3500  0.7417
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [8.8000]
_cell_length_b [8.8000]
_cell_length_c [29.0502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [Li(TcO4)3]
_chemical_formula_sum '[Li6 Tc18 O72]'
_cell_volume [1948.2322]
_cell_formula_units_Z [6]
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
[
  Li  Li0  6  0.0000  0.0000  0.0964  1
  Tc  Tc1  18  0.0863  0.3893  0.6644  1
  O  O2  18  0.0236  0.2254  0.3428  1
  O  O3  18  0.0820  0.8955  0.9633  1
  O  O4  18  0.1053  0.5440  0.3022  1
  O  O5  18  0.2009  0.7589  0.2159  1
]