data_[Tm12Cu4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.4652]
_cell_length_b [4.5816]
_cell_length_c [4.8346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3CuPb]
_chemical_formula_sum '[Tm12 Cu4 Pb4]'
_cell_volume [497.6062]
_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  4  0.0534  0.0000  0.2502  1.0
  Tm  Tm1  4  0.1707  0.0000  0.7496  1.0
  Tm  Tm2  4  0.1766  0.5000  0.2540  1.0
  Cu  Cu3  4  0.2499  0.5000  0.7639  1.0
  Pb  Pb4  4  0.0670  0.5000  0.7507  1.0
]