data_[Na2Tl2Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.6989]
_cell_length_b [5.0571]
_cell_length_c [7.4832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NaTlSn]
_chemical_formula_sum '[Na2 Tl2 Sn2]'
_cell_volume [170.8424]
_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  1  0.1861  0.5000  0.3157  1.0
  Na  Na1  1  0.5118  0.5000  0.9663  1.0
  Tl  Tl2  1  0.0222  0.0000  0.9864  1.0
  Tl  Tl3  1  0.8501  0.5000  0.6444  1.0
  Sn  Sn4  1  0.3332  0.0000  0.6171  1.0
  Sn  Sn5  1  0.6948  0.0000  0.3286  1.0
]