data_[La8Tm12Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tm  1.2500  1.7500  1.0950
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.1185]
_cell_length_b [17.4211]
_cell_length_c [9.0331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La2Tm3Pb4]
_chemical_formula_sum '[La8 Tm12 Pb16]'
_cell_volume [1120.2048]
_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
[
  La  La0  8  0.0000  0.1115  0.5878  1.0
  Tm  Tm1  8  0.2500  0.2084  0.2500  1.0
  Tm  Tm2  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  8  0.0000  0.1860  0.9465  1.0
  Pb  Pb4  8  0.2500  0.0342  0.2500  1.0
]