data_[Ba4Mg2Tl12Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5300]
_cell_length_b [6.3698]
_cell_length_c [9.4986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.3774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2MgTl6Sn]
_chemical_formula_sum '[Ba4 Mg2 Tl12 Sn2]'
_cell_volume [669.7116]
_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  4  0.0046  0.5000  0.2402  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  8  0.2419  0.2534  0.8019  1
  Tl  Tl3  4  0.1764  0.0000  0.4304  1
  Sn  Sn4  2  0.0000  0.0000  0.0000  1
]