data_[Tb6Sm6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [5.2661]
_cell_length_b [6.4686]
_cell_length_c [17.3327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TbSmPb]
_chemical_formula_sum '[Tb6 Sm6 Pb6]'
_cell_volume [590.4226]
_cell_formula_units_Z [6]
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  0.0000  0.0143  0.1370  1
  Tb  Tb1  2  0.0000  0.3173  0.9622  1
  Tb  Tb2  2  0.0000  0.5087  0.1774  1
  Sm  Sm3  2  0.0000  0.1774  0.3548  1
  Sm  Sm4  2  0.0000  0.2134  0.7643  1
  Sm  Sm5  2  0.0000  0.3862  0.5592  1
  Pb  Pb6  2  0.0000  0.6717  0.3637  1
  Pb  Pb7  2  0.0000  0.7364  0.7142  1
  Pb  Pb8  2  0.0000  0.8169  0.9671  1
]