data_[Tl1Ge2Sb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3924]
_cell_length_b [6.9970]
_cell_length_c [9.0790]
_cell_angle_alpha [92.7174]
_cell_angle_beta [91.1050]
_cell_angle_gamma [94.9206]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlGe2SbCl8]
_chemical_formula_sum '[Tl1 Ge2 Sb1 Cl8]'
_cell_volume [404.0131]
_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
[
  Tl  Tl0  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge1  2  0.4549  0.5595  0.7726  1.0
  Sb  Sb2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.2072  0.1973  0.8004  1.0
  Cl  Cl4  2  0.2366  0.6954  0.9602  1.0
  Cl  Cl5  2  0.2750  0.1341  0.2174  1.0
  Cl  Cl6  2  0.2794  0.6457  0.5676  1.0
]