data_[Na8Tm4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tm  1.2500  1.7500  1.0950
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.4005]
_cell_length_b [16.3639]
_cell_length_c [7.6955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Na2TmPb3]
_chemical_formula_sum '[Na8 Tm4 Pb12]'
_cell_volume [680.0815]
_cell_formula_units_Z [4]
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  0.0000  0.3351  0.5000  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Na  Na2  2  0.0000  0.0000  0.5000  1
  Tm  Tm3  4  0.0000  0.3396  0.0000  1
  Pb  Pb4  8  0.0000  0.1679  0.2393  1
  Pb  Pb5  4  0.0000  0.5000  0.2452  1
]