data_[Tm12In4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6111]
_cell_length_b [6.3167]
_cell_length_c [6.3829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7214]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm3InPb2]
_chemical_formula_sum '[Tm12 In4 Pb8]'
_cell_volume [655.7810]
_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
[
  Tm  Tm0  8  0.1670  0.1155  0.0892  1.0
  Tm  Tm1  4  0.0000  0.3756  0.7500  1.0
  In  In2  4  0.0000  0.1167  0.2500  1.0
  Pb  Pb3  8  0.1640  0.3874  0.5698  1.0
]