data_[Mg16Ag4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5331]
_cell_length_b [14.2421]
_cell_length_c [4.8007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg8Ag2Pb]
_chemical_formula_sum '[Mg16 Ag4 Pb2]'
_cell_volume [486.2354]
_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  0.2382  0.2925  0.5133  1
  Mg  Mg1  4  0.2979  0.1647  0.0747  1
  Mg  Mg2  4  0.4431  0.3753  0.2153  1
  Mg  Mg3  2  0.1035  0.5000  0.3604  1
  Mg  Mg4  2  0.3199  0.0000  0.5890  1
  Ag  Ag5  4  0.0458  0.3391  0.8210  1
  Pb  Pb6  2  0.0247  0.0000  0.7967  1
]