data_[Tm4In2Pb12]
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/m]
_cell_length_a [18.1512]
_cell_length_b [3.6070]
_cell_length_c [8.1486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2InPb6]
_chemical_formula_sum '[Tm4 In2 Pb12]'
_cell_volume [532.2631]
_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  0.0659  0.0000  0.8007  1
  In  In1  2  0.0000  0.5000  0.5000  1
  Pb  Pb2  4  0.0844  0.5000  0.1373  1
  Pb  Pb3  4  0.1619  0.0000  0.4693  1
  Pb  Pb4  4  0.2220  0.5000  0.8312  1
]