data_[Ba16Mg2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [21.6875]
_cell_length_b [6.1002]
_cell_length_c [8.6571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3062]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba8MgTl2]
_chemical_formula_sum '[Ba16 Mg2 Tl4]'
_cell_volume [1080.9199]
_cell_formula_units_Z [2]
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
[
  Ba  Ba0  4  0.0326  0.0000  0.7831  1.0
  Ba  Ba1  4  0.0995  0.5000  0.4552  1.0
  Ba  Ba2  4  0.1688  0.5000  0.9611  1.0
  Ba  Ba3  4  0.1984  0.0000  0.3036  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl5  4  0.1846  0.0000  0.7003  1.0
]