data_[Cs4Tl4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.3619]
_cell_length_b [4.0720]
_cell_length_c [8.3465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsTlGe]
_chemical_formula_sum '[Cs4 Tl4 Ge4]'
_cell_volume [481.8991]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  2  0.1997  0.0000  0.7968  1.0
  Cs  Cs1  2  0.3686  0.5000  0.4517  1.0
  Tl  Tl2  2  0.0542  0.5000  0.3412  1.0
  Tl  Tl3  2  0.4312  0.5000  0.9772  1.0
  Ge  Ge4  2  0.0745  0.5000  0.9844  1.0
  Ge  Ge5  2  0.1474  0.0000  0.2121  1.0
]