data_[Ba2Tl2In4Sn2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.1842]
_cell_length_b [5.4661]
_cell_length_c [11.6381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaTlIn2Sn]
_chemical_formula_sum '[Ba2 Tl2 In4 Sn2]'
_cell_volume [329.7939]
_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  0.4394  1.0
  Tl  Tl1  2  0.0000  0.5000  0.1793  1.0
  In  In2  2  0.0000  0.0000  0.0696  1.0
  In  In3  2  0.0000  0.5000  0.7009  1.0
  Sn  Sn4  2  0.0000  0.0000  0.8230  1.0
]