data_[Mg10Tl4Pb10]
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 [C2/m]
_cell_length_a [14.3259]
_cell_length_b [4.6690]
_cell_length_c [11.0436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg5Tl2Pb5]
_chemical_formula_sum '[Mg10 Tl4 Pb10]'
_cell_volume [660.1194]
_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  0.1651  0.0000  0.4933  1.0
  Mg  Mg1  4  0.2449  0.5000  0.7461  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.0841  0.0000  0.7472  1.0
  Pb  Pb4  4  0.1019  0.5000  0.2646  1.0
  Pb  Pb5  4  0.1610  0.5000  0.0044  1.0
  Pb  Pb6  2  0.0000  0.5000  0.5000  1.0
]