data_[Tm12Ga2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.9120]
_cell_length_b [4.4307]
_cell_length_c [13.0099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tm6GaPb3]
_chemical_formula_sum '[Tm12 Ga2 Pb6]'
_cell_volume [579.8407]
_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  0.0985  0.2500  0.4363  1
  Tm  Tm1  2  0.1419  0.7500  0.8731  1
  Tm  Tm2  2  0.1497  0.7500  0.2151  1
  Tm  Tm3  2  0.2450  0.7500  0.6623  1
  Tm  Tm4  2  0.4308  0.2500  0.1064  1
  Tm  Tm5  2  0.4792  0.2500  0.6492  1
  Ga  Ga6  2  0.0688  0.2500  0.6890  1
  Pb  Pb7  2  0.1218  0.2500  0.0415  1
  Pb  Pb8  2  0.3235  0.7500  0.4648  1
  Pb  Pb9  2  0.3579  0.2500  0.8501  1
]