data_[Tm12Sc6Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [9.9027]
_cell_length_b [11.7313]
_cell_length_c [5.0539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Tm6Sc3Pb]
_chemical_formula_sum '[Tm12 Sc6 Pb2]'
_cell_volume [587.1123]
_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
[
  Tm  Tm0  4  0.0645  0.7475  0.0000  1
  Tm  Tm1  4  0.1789  0.9222  0.5000  1
  Tm  Tm2  4  0.2169  0.6194  0.5000  1
  Sc  Sc3  4  0.1206  0.3254  0.5000  1
  Sc  Sc4  2  0.0000  0.5000  0.0000  1
  Pb  Pb5  2  0.0000  0.0000  0.0000  1
]