data_[La4Sn3Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4940]
_cell_length_b [4.8410]
_cell_length_c [12.0489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La4Sn3Pb]
_chemical_formula_sum '[La4 Sn3 Pb1]'
_cell_volume [262.1278]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8641  1.0
  La  La1  1  0.0000  0.5000  0.3649  1.0
  La  La2  1  0.5000  0.0000  0.1374  1.0
  La  La3  1  0.5000  0.5000  0.6326  1.0
  Sn  Sn4  1  0.0000  0.0000  0.5876  1.0
  Sn  Sn5  1  0.0000  0.5000  0.0902  1.0
  Sn  Sn6  1  0.5000  0.0000  0.4135  1.0
  Pb  Pb7  1  0.5000  0.5000  0.9098  1.0
]