data_[Ba6Mg8Tl4]
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 [12.5578]
_cell_length_b [5.4064]
_cell_length_c [10.2419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(Mg2Tl)2]
_chemical_formula_sum '[Ba6 Mg8 Tl4]'
_cell_volume [635.7539]
_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  0.1533  0.5000  0.6738  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.0863  0.0000  0.4122  1
  Mg  Mg3  4  0.2189  0.5000  0.0591  1
  Tl  Tl4  4  0.1310  0.5000  0.2945  1
]