data_[K4Mg12Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4329]
_cell_length_b [4.8345]
_cell_length_c [9.1738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KMg3Pb2]
_chemical_formula_sum '[K4 Mg12 Pb8]'
_cell_volume [746.0461]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.1485  0.0000  0.0588  1.0
  Mg  Mg1  4  0.0419  0.0000  0.3730  1.0
  Mg  Mg2  4  0.0871  0.5000  0.6606  1.0
  Mg  Mg3  4  0.1874  0.5000  0.4576  1.0
  Pb  Pb4  4  0.0275  0.5000  0.1821  1.0
  Pb  Pb5  4  0.1895  0.0000  0.6834  1.0
]