data_[Mg4Tl14Pb4]
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 [5.6357]
_cell_length_b [13.0861]
_cell_length_c [9.0531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Mg2Tl7Pb2]
_chemical_formula_sum '[Mg4 Tl14 Pb4]'
_cell_volume [667.6599]
_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  2  0.0000  0.0000  0.6234  1.0
  Mg  Mg1  2  0.0000  0.5000  0.8089  1.0
  Tl  Tl2  4  0.0000  0.1374  0.3224  1.0
  Tl  Tl3  4  0.0000  0.1400  0.9269  1.0
  Tl  Tl4  4  0.0000  0.3678  0.1130  1.0
  Tl  Tl5  2  0.0000  0.5000  0.4366  1.0
  Pb  Pb6  4  0.0000  0.2857  0.6302  1.0
]