data_[Tm6Mg2Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.1801]
_cell_length_b [6.6569]
_cell_length_c [6.5096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tm3MgPb4]
_chemical_formula_sum '[Tm6 Mg2 Pb8]'
_cell_volume [441.1375]
_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  0.2489  0.2791  0.5642  1.0
  Tm  Tm1  2  0.0000  0.9872  0.8061  1.0
  Mg  Mg2  2  0.0000  0.4895  0.8257  1.0
  Pb  Pb3  4  0.2458  0.2231  0.0614  1.0
  Pb  Pb4  2  0.0000  0.0003  0.3090  1.0
  Pb  Pb5  2  0.0000  0.5037  0.3233  1.0
]