data_[Na2Tl2In2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7918]
_cell_length_b [4.3028]
_cell_length_c [9.8831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlInCl3]
_chemical_formula_sum '[Na2 Tl2 In2 Cl6]'
_cell_volume [371.7228]
_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
[
  Na  Na0  2  0.3801  0.7500  0.8483  1.0
  Tl  Tl1  2  0.1531  0.2500  0.1684  1.0
  In  In2  2  0.1523  0.2500  0.5295  1.0
  Cl  Cl3  2  0.1380  0.2500  0.8133  1.0
  Cl  Cl4  2  0.3501  0.7500  0.5703  1.0
  Cl  Cl5  2  0.3948  0.7500  0.1287  1.0
]