data_[Na2Mg2Tl6In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2278]
_cell_length_b [4.2600]
_cell_length_c [10.2419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaMgTl3In]
_chemical_formula_sum '[Na2 Mg2 Tl6 In2]'
_cell_volume [336.9108]
_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  0.1436  0.2500  0.2909  1.0
  Mg  Mg1  2  0.4959  0.2500  0.1276  1.0
  Tl  Tl2  2  0.1788  0.7500  0.5457  1.0
  Tl  Tl3  2  0.1841  0.7500  0.0576  1.0
  Tl  Tl4  2  0.1973  0.2500  0.8095  1.0
  In  In5  2  0.4903  0.7500  0.3776  1.0
]