data_[Sr3Tl6Ge3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.5132]
_cell_length_b [8.5132]
_cell_length_c [21.7240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SrTl2GeI6]
_chemical_formula_sum '[Sr3 Tl6 Ge3 I18]'
_cell_volume [1363.4898]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.1786  1.0
  Tl  Tl1  3  0.0000  0.0000  0.4734  1.0
  Tl  Tl2  3  0.0000  0.0000  0.9747  1.0
  Ge  Ge3  3  0.0000  0.0000  0.6769  1.0
  I  I4  9  0.0073  0.4005  0.4196  1.0
  I  I5  9  0.0748  0.7162  0.2586  1.0
]