data_[Na4Tl6In4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5804]
_cell_length_b [4.8506]
_cell_length_c [7.7156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9039]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Tl3In2]
_chemical_formula_sum '[Na4 Tl6 In4]'
_cell_volume [391.2082]
_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  4  0.0738  0.5000  0.7209  1
  Tl  Tl1  4  0.2115  0.5000  0.1513  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  In  In3  4  0.1445  0.0000  0.4396  1
]