data_[Li2Tc4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3992]
_cell_length_b [10.4067]
_cell_length_c [6.7217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(TcBr4)2]
_chemical_formula_sum '[Li2 Tc4 Br16]'
_cell_volume [866.0301]
_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  0.0000  0.0000  1
  Tc  Tc1  4  0.2070  0.0000  0.6655  1
  Br  Br2  8  0.1091  0.1754  0.8014  1
  Br  Br3  4  0.1113  0.5000  0.2113  1
  Br  Br4  4  0.1937  0.0000  0.3123  1
]