data_[Na3Tl7Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7866]
_cell_length_b [7.0400]
_cell_length_c [8.1274]
_cell_angle_alpha [77.9913]
_cell_angle_beta [76.4531]
_cell_angle_gamma [72.7199]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na3Tl7Sb2]
_chemical_formula_sum '[Na3 Tl7 Sb2]'
_cell_volume [356.4275]
_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  0.1871  0.3494  0.6571  1
  Na  Na1  1  0.5000  0.0000  0.0000  1
  Tl  Tl2  2  0.0970  0.1664  0.3360  1
  Tl  Tl3  2  0.2538  0.5005  0.9957  1
  Tl  Tl4  2  0.4165  0.8119  0.6487  1
  Tl  Tl5  1  0.0000  0.0000  0.0000  1
  Sb  Sb6  2  0.3043  0.6846  0.3165  1
]