data_[Tm16Ru4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8379]
_cell_length_b [13.2250]
_cell_length_c [6.0887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4RuPb]
_chemical_formula_sum '[Tm16 Ru4 Pb4]'
_cell_volume [657.6909]
_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  0.1098  0.1656  0.0618  1.0
  Tm  Tm1  8  0.2243  0.4291  0.3499  1.0
  Ru  Ru2  4  0.0000  0.0000  0.2500  1.0
  Pb  Pb3  4  0.0000  0.3700  0.7500  1.0
]