data_[Na4Ca2Tl4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9394]
_cell_length_b [9.8802]
_cell_length_c [7.5692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na2CaTl2Pb]
_chemical_formula_sum '[Na4 Ca2 Tl4 Pb2]'
_cell_volume [369.3934]
_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  2  0.0000  0.1897  0.8585  1.0
  Na  Na1  2  0.5000  0.0600  0.5513  1.0
  Ca  Ca2  2  0.0000  0.4479  0.4586  1.0
  Tl  Tl3  2  0.0000  0.1242  0.2795  1.0
  Tl  Tl4  2  0.5000  0.3657  0.7371  1.0
  Pb  Pb5  2  0.5000  0.3139  0.1606  1.0
]