data_[Ba2Mg4Tl2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.7028]
_cell_length_b [4.7028]
_cell_length_c [12.3112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [BaMg2TlSi]
_chemical_formula_sum '[Ba2 Mg4 Tl2 Si2]'
_cell_volume [272.2825]
_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  2  0.0000  0.0000  0.0064  1
  Mg  Mg1  4  0.0000  0.5000  0.2425  1
  Tl  Tl2  2  0.0000  0.0000  0.3895  1
  Si  Si3  2  0.0000  0.0000  0.6191  1
]