data_[La1Tl1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7986]
_cell_length_b [7.2977]
_cell_length_c [9.3653]
_cell_angle_alpha [86.1237]
_cell_angle_beta [87.2955]
_cell_angle_gamma [86.6353]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LaTl(GeBr4)2]
_chemical_formula_sum '[La1 Tl1 Ge2 Br8]'
_cell_volume [462.3506]
_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
[
  La  La0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.4616  0.4637  0.7499  1.0
  Br  Br3  2  0.2370  0.8165  0.7762  1.0
  Br  Br4  2  0.2507  0.3299  0.9699  1.0
  Br  Br5  2  0.2639  0.8465  0.2253  1.0
  Br  Br6  2  0.2732  0.3590  0.5538  1.0
]