data_[Ba2Tl4Ge2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7812]
_cell_length_b [8.2649]
_cell_length_c [5.8111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaTl2GeO4]
_chemical_formula_sum '[Ba2 Tl4 Ge2 O8]'
_cell_volume [373.7150]
_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
[
  Ba  Ba0  2  0.0000  0.1055  0.4925  1.0
  Tl  Tl1  4  0.2423  0.6786  0.4929  1.0
  Ge  Ge2  2  0.0000  0.8961  0.0011  1.0
  O  O3  4  0.1881  0.8372  0.1522  1.0
  O  O4  2  0.0000  0.1172  0.0095  1.0
  O  O5  2  0.0000  0.8324  0.7067  1.0
]