data_[La16Ga4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9928]
_cell_length_b [4.9691]
_cell_length_c [8.3112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Ga2Pb]
_chemical_formula_sum '[La16 Ga4 Pb2]'
_cell_volume [692.7719]
_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
[
  La  La0  4  0.0533  0.0000  0.7381  1.0
  La  La1  4  0.1099  0.5000  0.4455  1.0
  La  La2  4  0.1628  0.0000  0.2541  1.0
  La  La3  4  0.1734  0.5000  0.9282  1.0
  Ga  Ga4  4  0.2175  0.0000  0.6762  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]