data_[Sr3Mg3Tl6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.6054]
_cell_length_b [7.6054]
_cell_length_c [17.8557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [SrMg(TlCl3)2]
_chemical_formula_sum '[Sr3 Mg3 Tl6 Cl18]'
_cell_volume [894.4511]
_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
  Mg  Mg1  3  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  6  0.0000  0.0000  0.2285  1.0
  Cl  Cl3  18  0.0296  0.4395  0.7478  1.0
]