data_[Li8Tc2Mo2O12]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.1280]
_cell_length_b [8.4651]
_cell_length_c [5.1936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li4TcMoO6]
_chemical_formula_sum '[Li8 Tc2 Mo2 O12]'
_cell_volume [213.6696]
_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
[
  Li  Li0  2  0.0000  0.0062  0.5000  1
  Li  Li1  2  0.0000  0.3312  0.5000  1
  Li  Li2  2  0.0000  0.5035  0.0000  1
  Li  Li3  2  0.0000  0.6618  0.5000  1
  Tc  Tc4  2  0.0000  0.1452  0.0000  1
  Mo  Mo5  2  0.0000  0.8576  0.0000  1
  O  O6  4  0.2394  0.4967  0.7306  1
  O  O7  4  0.2443  0.8272  0.7748  1
  O  O8  4  0.2469  0.6734  0.2307  1
]