data_[Ba2Mg2Tl4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8020]
_cell_length_b [6.2079]
_cell_length_c [6.6933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaMgTl2F6]
_chemical_formula_sum '[Ba2 Mg2 Tl4 F12]'
_cell_volume [375.8232]
_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  0.5000  1.0
  Mg  Mg1  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl2  4  0.2332  0.0000  0.2063  1.0
  F  F3  8  0.0508  0.2666  0.8400  1.0
  F  F4  4  0.2144  0.5000  0.2806  1.0
]