data_[Sr3Mg6Tl12Zn3]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1985]
_cell_length_b [5.1985]
_cell_length_c [28.1250]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [SrMg2Tl4Zn]
_chemical_formula_sum '[Sr3 Mg6 Tl12 Zn3]'
_cell_volume [658.2213]
_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  0.0000  1.0
  Mg  Mg1  6  0.0000  0.0000  0.2487  1.0
  Tl  Tl2  6  0.0000  0.0000  0.1300  1.0
  Tl  Tl3  6  0.0000  0.0000  0.3920  1.0
  Zn  Zn4  3  -0.0000  -0.0000  0.5000  1.0
]