data_[Ba12Mg4Tl4]
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 [23.2417]
_cell_length_b [4.2342]
_cell_length_c [9.1184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3MgTl]
_chemical_formula_sum '[Ba12 Mg4 Tl4]'
_cell_volume [880.4955]
_cell_formula_units_Z [4]
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  0.0825  0.5000  0.0180  1.0
  Ba  Ba1  4  0.0921  0.5000  0.5767  1.0
  Ba  Ba2  4  0.2082  0.0000  0.3081  1.0
  Mg  Mg3  4  0.2055  0.0000  0.8943  1.0
  Tl  Tl4  4  0.0153  0.0000  0.2689  1.0
]