data_[Sr3Tl6Zn3Cl18]
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
  Zn  1.6500  1.3500  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.5880]
_cell_length_b [7.5880]
_cell_length_c [17.6925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [SrTl2ZnCl6]
_chemical_formula_sum '[Sr3 Tl6 Zn3 Cl18]'
_cell_volume [882.2112]
_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  0.5000  1.0
  Tl  Tl1  6  0.0000  0.0000  0.2301  1.0
  Zn  Zn2  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  18  0.0322  0.4421  0.7473  1.0
]