data_[Tb4Mg12Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [10.1831]
_cell_length_b [10.8005]
_cell_length_c [6.9882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb(MgPb)3]
_chemical_formula_sum '[Tb4 Mg12 Pb12]'
_cell_volume [768.5850]
_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
[
  Tb  Tb0  4  0.2025  0.5000  0.5000  1
  Mg  Mg1  4  0.0000  0.2523  0.5000  1
  Mg  Mg2  4  0.0000  0.3565  0.0000  1
  Mg  Mg3  4  0.2418  0.0000  0.0000  1
  Pb  Pb4  8  0.2500  0.2500  0.2387  1
  Pb  Pb5  4  0.0000  0.0000  0.2575  1
]