data_[Li2Tl1Tc1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Tc  1.9000  1.3500  0.7417
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0316]
_cell_length_b [7.9065]
_cell_length_c [6.2188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2TlTcCl8]
_chemical_formula_sum '[Li2 Tl1 Tc1 Cl8]'
_cell_volume [295.6152]
_cell_formula_units_Z [1]
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  0.5000  0.2510  0.5000  1
  Tl  Tl1  1  0.0000  0.5000  0.0000  1
  Tc  Tc2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.2015  0.2149  0.8341  1
  Cl  Cl4  2  0.2727  0.0000  0.3035  1
  Cl  Cl5  2  0.3042  0.5000  0.3335  1
]