data_[Ba12Mg2Tl4]
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 [9.1777]
_cell_length_b [10.8546]
_cell_length_c [9.3604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba6MgTl2]
_chemical_formula_sum '[Ba12 Mg2 Tl4]'
_cell_volume [871.5763]
_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  8  0.0621  0.1922  0.3034  1.0
  Ba  Ba1  4  0.1930  0.5000  0.9540  1.0
  Mg  Mg2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  4  0.2317  0.5000  0.3429  1.0
]