data_[Tm8Ru4Pb2]
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 [P1]
_cell_length_a [6.0159]
_cell_length_b [7.8102]
_cell_length_c [8.3186]
_cell_angle_alpha [115.9143]
_cell_angle_beta [100.9635]
_cell_angle_gamma [98.1070]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tm4Ru2Pb]
_chemical_formula_sum '[Tm8 Ru4 Pb2]'
_cell_volume [333.8329]
_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  1  0.0768  0.3355  0.4264  1.0
  Tm  Tm1  1  0.1879  0.8946  0.3119  1.0
  Tm  Tm2  1  0.2855  0.8227  0.6997  1.0
  Tm  Tm3  1  0.4962  0.2620  0.1633  1.0
  Tm  Tm4  1  0.5893  0.7404  0.1184  1.0
  Tm  Tm5  1  0.7008  0.5532  0.6464  1.0
  Tm  Tm6  1  0.7959  0.9704  0.5890  1.0
  Tm  Tm7  1  0.9984  0.4172  0.0338  1.0
  Ru  Ru8  1  0.1587  0.6138  0.8628  1.0
  Ru  Ru9  1  0.3956  0.6179  0.3675  1.0
  Ru  Ru10  1  0.6090  0.1563  0.4273  1.0
  Ru  Ru11  1  0.8810  0.6191  0.3627  1.0
  Pb  Pb12  1  0.3791  0.2707  0.7528  1.0
  Pb  Pb13  1  0.9457  0.9763  0.9879  1.0
]