data_[Ba14Mg4Tl4]
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 [Cmmm]
_cell_length_a [9.0834]
_cell_length_b [12.5183]
_cell_length_c [9.4932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ba7(MgTl)2]
_chemical_formula_sum '[Ba14 Mg4 Tl4]'
_cell_volume [1079.4572]
_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  8  0.2500  0.2500  0.2832  1
  Ba  Ba1  4  0.0000  0.5000  0.3132  1
  Ba  Ba2  2  0.0000  0.0000  0.0000  1
  Mg  Mg3  4  0.0000  0.3483  0.0000  1
  Tl  Tl4  4  0.1622  0.0000  0.5000  1
]