data_[Y1Tl1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [6.6648]
_cell_length_b [7.2841]
_cell_length_c [9.2901]
_cell_angle_alpha [85.7442]
_cell_angle_beta [88.8406]
_cell_angle_gamma [85.9330]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YTl(GeBr4)2]
_chemical_formula_sum '[Y1 Tl1 Ge2 Br8]'
_cell_volume [448.5767]
_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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1
  Tl  Tl1  1  0.0000  0.0000  0.5000  1
  Ge  Ge2  2  0.4573  0.4510  0.7603  1
  Br  Br3  2  0.2298  0.8228  0.7919  1
  Br  Br4  2  0.2346  0.3181  0.9716  1
  Br  Br5  2  0.2658  0.8566  0.2215  1
  Br  Br6  2  0.2701  0.3604  0.5542  1
]