data_[Ba2Mg5Tl3]
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 [P-4m2]
_cell_length_a [4.9205]
_cell_length_b [4.9205]
_cell_length_c [13.1262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2Mg5Tl3]
_chemical_formula_sum '[Ba2 Mg5 Tl3]'
_cell_volume [317.8077]
_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  0.5000  0.7395  1
  Mg  Mg1  2  0.0000  0.5000  0.1375  1
  Mg  Mg2  1  0.0000  0.0000  0.0000  1
  Mg  Mg3  1  0.5000  0.5000  0.0000  1
  Mg  Mg4  1  0.5000  0.5000  0.5000  1
  Tl  Tl5  2  0.0000  0.5000  0.3589  1
  Tl  Tl6  1  0.0000  0.0000  0.5000  1
]