data_[Tm2Cd4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5252]
_cell_length_b [10.9928]
_cell_length_c [6.6959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [TmCd2Pb3]
_chemical_formula_sum '[Tm2 Cd4 Pb6]'
_cell_volume [333.0869]
_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  2  0.0000  0.1464  0.4086  1.0
  Cd  Cd1  2  0.0000  0.1743  0.9207  1.0
  Cd  Cd2  2  0.5000  0.3177  0.1554  1.0
  Pb  Pb3  2  0.0000  0.4964  0.4047  1.0
  Pb  Pb4  2  0.5000  0.0001  0.6599  1.0
  Pb  Pb5  2  0.5000  0.3188  0.6520  1.0
]