data_[Ba3Mg2Tl4Ag2]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.0912]
_cell_length_b [5.0912]
_cell_length_c [16.6604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Mg2(Tl2Ag)2]
_chemical_formula_sum '[Ba3 Mg2 Tl4 Ag2]'
_cell_volume [373.9868]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2637  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Mg  Mg2  2  0.3333  0.6667  0.5655  1
  Tl  Tl3  2  0.3333  0.6667  0.3896  1
  Tl  Tl4  2  0.3333  0.6667  0.8684  1
  Ag  Ag5  2  0.3333  0.6667  0.1335  1
]