data_[Tm2Mg10Pb12]
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 [C2/m]
_cell_length_a [9.7186]
_cell_length_b [10.7828]
_cell_length_c [6.3334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5128]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmMg5Pb6]
_chemical_formula_sum '[Tm2 Mg10 Pb12]'
_cell_volume [650.3463]
_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  0.0000  0.0000  1.0
  Mg  Mg1  4  0.0000  0.1636  0.5000  1.0
  Mg  Mg2  4  0.0000  0.3335  0.0000  1.0
  Mg  Mg3  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb4  8  0.2453  0.3316  0.7440  1.0
  Pb  Pb5  4  0.2463  0.5000  0.2478  1.0
]