data_[La16Tm16Pb28]
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 [I4/mmm]
_cell_length_a [16.5063]
_cell_length_b [16.5063]
_cell_length_c [6.9475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La4Tm4Pb7]
_chemical_formula_sum '[La16 Tm16 Pb28]'
_cell_volume [1892.9159]
_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  0.1916  0.5000  1
  La  La1  8  0.1327  0.8673  0.0000  1
  Tm  Tm2  16  0.1492  0.3508  0.2500  1
  Pb  Pb3  8  0.0000  0.2763  0.0000  1
  Pb  Pb4  8  0.0000  0.4056  0.5000  1
  Pb  Pb5  8  0.2000  0.2000  0.5000  1
  Pb  Pb6  4  0.0000  0.0000  0.2560  1
]