data_[Mg4Tl4Pb14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0237]
_cell_length_b [15.3061]
_cell_length_c [8.7454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Mg2Tl2Pb7]
_chemical_formula_sum '[Mg4 Tl4 Pb14]'
_cell_volume [672.4652]
_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
[
  Mg  Mg0  4  0.0000  0.1926  0.6271  1.0
  Tl  Tl1  2  0.0000  0.0000  0.8120  1.0
  Tl  Tl2  2  0.0000  0.5000  0.6161  1.0
  Pb  Pb3  4  0.0000  0.1539  0.1223  1.0
  Pb  Pb4  4  0.0000  0.3331  0.3475  1.0
  Pb  Pb5  4  0.0000  0.3451  0.9057  1.0
  Pb  Pb6  2  0.0000  0.0000  0.4206  1.0
]