data_[Na7Tl12Sn1]
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 [P-1]
_cell_length_a [6.1881]
_cell_length_b [9.1794]
_cell_length_c [11.0727]
_cell_angle_alpha [71.6664]
_cell_angle_beta [87.1793]
_cell_angle_gamma [88.8131]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na7Tl12Sn]
_chemical_formula_sum '[Na7 Tl12 Sn1]'
_cell_volume [596.3019]
_cell_formula_units_Z [1]
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  0.1745  0.3521  0.9162  1
  Na  Na1  2  0.2070  0.7221  0.2929  1
  Na  Na2  2  0.2685  0.8965  0.5487  1
  Na  Na3  1  0.5000  0.0000  0.0000  1
  Tl  Tl4  2  0.1407  0.3261  0.4369  1
  Tl  Tl5  2  0.2294  0.0974  0.2429  1
  Tl  Tl6  2  0.2403  0.7447  0.8675  1
  Tl  Tl7  2  0.2893  0.1251  0.7222  1
  Tl  Tl8  2  0.3312  0.4732  0.1431  1
  Tl  Tl9  2  0.3464  0.5181  0.6210  1
  Sn  Sn10  1  0.0000  0.0000  0.0000  1
]