data_[Tb2Mg6Pb12]
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 [P2_1/m]
_cell_length_a [10.2083]
_cell_length_b [4.8235]
_cell_length_c [11.3175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.5129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(MgPb2)3]
_chemical_formula_sum '[Tb2 Mg6 Pb12]'
_cell_volume [554.6889]
_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
[
  Tb  Tb0  2  0.0608  0.2500  0.3874  1
  Mg  Mg1  2  0.2489  0.2500  0.0039  1
  Mg  Mg2  2  0.3441  0.7500  0.8026  1
  Mg  Mg3  2  0.4444  0.2500  0.5988  1
  Pb  Pb4  2  0.0627  0.7500  0.9050  1
  Pb  Pb5  2  0.1580  0.7500  0.1980  1
  Pb  Pb6  2  0.1618  0.2500  0.6979  1
  Pb  Pb7  2  0.2623  0.7500  0.5054  1
  Pb  Pb8  2  0.3750  0.2500  0.3022  1
  Pb  Pb9  2  0.4564  0.7500  0.0952  1
]